A0A5K4ENB7_SCHMA Loading...

AAA domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4ENB7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 936 aa.

						>A0A5K4ENB7_SCHMA|A0A5K4ENB7
MYLQIMKSEPGNHDPANNTVQSLNSKGNKIDVQENNITKMSYTEFLTSLKNGLCVDERCNSDANIQNKFHESLSKSIDLHVRANEHVCNTGVAIAEDFSNTVPLCNPKVEFSCTRSSEDSLIVVPDIITEALVCSEPNMQQSCFSGLNQSPSQTKQEMADIYLSKTIDSDTCLRKIVDDHPNFPIFECFQKFQSFTTGCTKSRQIPSASNESLLWVDKYMPSSCSSFLNTCPSIIKLLMWLKKWKYKNSKVENSMEPSLSKNKTTKSTKKRLRSSPRYSSDEDFVVKSPAHKRHKYNVHVPGSVENINENPTLNLPIGYIRNQIDVSSSSSSDEDNSTESDEEHNGNPNKRRLRANWQSKAFLLVGPHGTGKSALIYALAKDLGFKIFELNPSSRRSGKDIISQFHTALGSHHVAKDYLSTSFSTFQMITSSSLTKNNSETIRKSAANFFKPVPKKNVSSKKNTSSTKDSESLNLNCNSIVLFDEVDVLFESDRGFWSGLSSLLQLARRPVILTASDSSVVHNLPVPAYICHFTSASLELVVPYIRVLCLNEGYNLDVQTANSLIKSIQSPNLTIDKLSSEHCDLRRLINELQWFCTSASHEEANRKYNHIKNENSLILNEFIDDPLNLVQKISPSLCNLSGYIVNPKPSVNSKCVIENDLCDLFTTDAENVPDQVAGKTATNEIVKENVIETNCQDSVEKNQKSSLLIDFSLNSLKEMTENLSFWDICQSGVTRASLLSVTDSISQIIDIKSDSNNNGSNNSPSNTNPSVNITSDSSMCTVSTKRVINVPTQHWGPVCAFDIINDDFFNVFWIQILLNQSRTNLEEAESKLTTDNYSYSNGSVKTDMLLKSCDLSQSLSLSKCVNDLNRCGIGTNCHDHLKTLACDYLPILRLLASGENSRQIVSTKRRFLHYFDRISLFLSPSTREFLSKSSFL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	24.1	Very low	24.1	Very low	222 Å²	222	165.6 Å²	165.6	100%	1.094	86%	0.857	S	S	*	*				0	53.9	0	-155	175.1	-177.4	0	0	108.8	L3	M1-L3 PolarHBondContact O-N 3.36Å
2	Y	24.4	Very low	24.2	Very low	237 Å²	237	165.8 Å²	165.8	93%	0.929	86%	0.86	S	S	*	*			trans	-95.6	17.4	-151.1	-122.4	-94.4	0	0	0	114.4
3	L	21.1	Very low	24.3	Very low	166 Å²	166	166.6 Å²	166.6	87%	0.869	86%	0.857	S	S	*	*	S	Bend	trans	-149.4	34.4	-166.3	-125.4	176.9	0	0	0	115.1	M1	M1-L3 PolarHBondContact O-N 3.36Å
4	Q	24.1	Very low	24.4	Very low	167 Å²	167	166.4 Å²	166.4	78%	0.78	86%	0.858	S	S	*	*			trans	-150	45.9	-175.3	-142.6	154.7	4.8	0	0	118.2
5	I	26.1	Very low	24.6	Very low	166 Å²	166	163.3 Å²	163.3	85%	0.851	85%	0.853	S	S	*	*			trans	-139.3	52.4	153.4	-45.3	177	0	0	0	109.8
6	M	22.6	Very low	24.6	Very low	187 Å²	187	158.5 Å²	158.5	92%	0.921	84%	0.844	S	S	*	*			trans	-93.9	88.9	145	-89.5	-77.1	-123.1	0	0	105.3
7	K	23.9	Very low	24.6	Very low	189 Å²	189	157.6 Å²	157.6	82%	0.822	84%	0.84	S	S	*	*			trans	-177.1	68.7	165.1	-102.2	171.4	-171.8	-166.5	0	108.1	E9	K7-E9 PolarHBondContact O-N 3.42Å
8	S	24.2	Very low	24.7	Very low	117 Å²	117	157.6 Å²	157.6	82%	0.818	84%	0.84	S	S	*	*			trans	-71.8	108.9	156.2	49.7	0	0	0	0	107
9	E	23.2	Very low	24.5	Very low	181 Å²	181	155.9 Å²	155.9	85%	0.846	84%	0.836	S	S	*	*			trans	-66.3	144.3	175.6	-78.2	-179.6	157.2	0	0	111.2	K7 G11	K7-E9 PolarHBondContact O-N 3.42Å; E9-G11 PolarHBondContact O-N 3.34Å
10	P	26.4	Very low	24.5	Very low	122 Å²	122	155.4 Å²	155.4	79%	0.792	84%	0.838	S	S	*	*			trans	-80.3	112.1	-172.3	32.2	-31.2	0	0	0	110.2	N12	P10-N12 PolarHBondContact O-N 3.04Å
11	G	25.2	Very low	24.4	Very low	68 Å²	68	156 Å²	156	70%	0.701	84%	0.836	S	S	*	*			trans	-72.7	112.7	168.1	0	0	0	0	0	110.5	E9 H13	E9-G11 PolarHBondContact O-N 3.34Å; G11-H13 PolarHBondContact O-N 2.91Å
12	N	25.7	Very low	24.2	Very low	168 Å²	168	149.8 Å²	149.8	90%	0.898	81%	0.814	S	S	*	*			trans	-56.4	101.7	168.1	-87.7	-23.9	0	0	0	110.4	P10	P10-N12 PolarHBondContact O-N 3.04Å
13	H	25.4	Very low	24.1	Very low	176 Å²	176	147 Å²	147	82%	0.815	81%	0.814	S	S	*	*			trans	-102.7	111.9	159.5	-85	-69.2	0	0	0	108.4	G11 P15	G11-H13 PolarHBondContact O-N 2.91Å; H13-P15 WeakPolarHBondContact O-CD 3.49Å
14	D	25.7	Very low	24.2	Very low	164 Å²	164	145.9 Å²	145.9	88%	0.877	81%	0.809	S	S	*	*			trans	-69.3	118.8	170.2	-132.9	-18.1	0	0	0	108.5	A16	D14-A16 PolarHBondContact O-N 3.33Å
15	P	26.4	Very low	24.2	Very low	120 Å²	120	142.6 Å²	142.6	78%	0.779	80%	0.804	S	S	*	*			trans	-94.5	102.7	-172.2	34.3	-27.6	0	0	0	109.8	H13	H13-P15 WeakPolarHBondContact O-CD 3.49Å
16	A	25.2	Very low	24.2	Very low	86 Å²	86	143.9 Å²	143.9	71%	0.711	80%	0.804	S	S	*	*			trans	-132.8	112.2	164.5	0	0	0	0	0	109.8	D14	D14-A16 PolarHBondContact O-N 3.33Å
17	N	25.2	Very low	24.2	Very low	144 Å²	144	138.7 Å²	138.7	77%	0.77	80%	0.798	S	S	*	*			trans	64.6	95	156.1	-59.7	-18.6	0	0	0	117
18	N	25.5	Very low	24.2	Very low	157 Å²	157	136.9 Å²	136.9	84%	0.84	80%	0.798	S	S	*	*				-164.2	101.9	105.9	-88.7	-24.8	0	0	0	110.9	V20	N18-V20 PolarHBondContact O-N 3.18Å
19	T	22	Very low	24	Very low	126 Å²	126	141.2 Å²	141.2	77%	0.773	80%	0.802	S	S	*	*			trans	-47.3	113.7	160.6	32.1	0	0	0	0	112.1
20	V	24	Very low	23.9	Very low	144 Å²	144	139.8 Å²	139.8	87%	0.873	80%	0.798	S	S	*	*			trans	-122.3	116.3	142.2	179	0	0	0	0	107.1	N18	N18-V20 PolarHBondContact O-N 3.18Å
21	Q	21.3	Very low	23.7	Very low	170 Å²	170	141 Å²	141	79%	0.794	80%	0.798	S	S	*	*			trans	-66.1	124	-174.1	-78.7	169.6	-23.9	0	0	111.8
22	S	21.1	Very low	23.6	Very low	91 Å²	91	144.6 Å²	144.6	64%	0.636	81%	0.806	S	S	*	*			trans	42.3	115.7	131.9	66.7	0	0	0	0	119.3
23	L	22.3	Very low	23.5	Very low	179 Å²	179	145 Å²	145	94%	0.937	80%	0.803	S	S	*	*				-139.9	107	123.4	-99	161	0	0	0	109.5
24	N	22.3	Very low	23.5	Very low	142 Å²	142	144.9 Å²	144.9	76%	0.759	80%	0.803	S	S	*	*			trans	-39.3	151.3	159.2	-71	-41.4	0	0	0	111.8
25	S	24.5	Very low	23.5	Very low	97 Å²	97	144 Å²	144	68%	0.678	80%	0.797	S	S	*	*			cis	-173.7	140.3	22.8	32.4	0	0	0	0	110
26	K	25.5	Very low	23.4	Very low	194 Å²	194	144.4 Å²	144.4	84%	0.843	79%	0.793	S	S	*	*			trans	46.4	106.6	134.2	-57.7	176.4	178	178.9	0	116.4
27	G	22.9	Very low	23.4	Very low	78 Å²	78	148.6 Å²	148.6	80%	0.804	80%	0.802	S	S	*	*			cis	75.4	50.4	32.5	0	0	0	0	0	112
28	N	24	Very low	23.4	Very low	150 Å²	150	147.5 Å²	147.5	80%	0.802	80%	0.801	S	S	*	*			trans	-87.8	107.2	165	-87.5	-9	0	0	0	109.3
29	K	20.5	Very low	23.4	Very low	208 Å²	208	150 Å²	150	90%	0.904	80%	0.804	S	S	*	*			trans	-57.9	126.2	158.9	-75.1	175.5	171.6	179.4	0	108.4
30	I	21.1	Very low	23.9	Very low	151 Å²	151	149.1 Å²	149.1	77%	0.774	79%	0.793	S	S	*	*			trans	-122.6	121.4	162.6	-62.9	179	0	0	0	107.1
31	D	22.3	Very low	24.3	Very low	149 Å²	149	144.6 Å²	144.6	80%	0.797	77%	0.767	S	S	*	*			trans	-54.9	127.5	179.3	-88.6	-42.5	0	0	0	111.8	Q33	D31-Q33 VanDerWaalsContact C-N 3.34Å; D31-Q33 PolarHBondContact O-N 3.4Å; D31-Q33 VanDerWaalsContact O-N 3.14Å
32	V	22.5	Very low	25	Very low	142 Å²	142	144.8 Å²	144.8	86%	0.861	76%	0.762	S	S	*	*			trans	-82.6	84	169	-177.2	0	0	0	0	107.1	E34	V32-E34 PolarHBondContact O-N 3.24Å
33	Q	23.2	Very low	25.9	Very low	177 Å²	177	145 Å²	145	83%	0.827	76%	0.759	S	S	*	*			trans	-77.6	115.1	159.6	-76.9	-166.1	-6.9	0	0	108.2	D31 N35	D31-Q33 VanDerWaalsContact C-N 3.34Å; D31-Q33 PolarHBondContact O-N 3.4Å; D31-Q33 VanDerWaalsContact O-N 3.14Å; Q33-N35 PolarHBondContact O-N 2.85Å
34	E	26.8	Very low	26.7	Very low	174 Å²	174	141.3 Å²	141.3	81%	0.813	74%	0.737	S	S	*	*			trans	-39.2	124	161	-64.3	172.8	145.7	0	0	109.6	V32	V32-E34 PolarHBondContact O-N 3.24Å
35	N	24.6	Very low	27.3	Very low	144 Å²	144	139.6 Å²	139.6	77%	0.77	72%	0.723	S	S	*	*			trans	178.4	134.5	134.8	-90.3	-31.6	0	0	0	114.1	Q33	Q33-N35 PolarHBondContact O-N 2.85Å
36	N	24.7	Very low	27.9	Very low	130 Å²	130	138.7 Å²	138.7	70%	0.695	71%	0.71	S	S	*	*			trans	74	71.1	144.2	-58.3	-20.9	0	0	0	119.1	T38	N36-T38 VanDerWaalsContact C-N 3.25Å; N36-T38 PolarHBondContact O-N 3.32Å
37	I	24.7	Very low	28.6	Very low	173 Å²	173	133.1 Å²	133.1	89%	0.887	69%	0.693	S	S	*	*			trans	-70.4	89.4	148.5	-56.5	173.9	0	0	0	107.1	K39	I37-K39 PolarHBondContact O-N 3.1Å
38	T	25.5	Very low	29.3	Very low	122 Å²	122	130.7 Å²	130.7	75%	0.748	66%	0.663	S	S	*	*			trans	-66.9	117.3	168.6	34.4	0	0	0	0	108.7	N36 M40	N36-T38 VanDerWaalsContact C-N 3.25Å; N36-T38 PolarHBondContact O-N 3.32Å; T38-M40 PolarHBondContact O-N 3.36Å
39	K	26.7	Very low	29.7	Very low	208 Å²	208	128 Å²	128	90%	0.904	65%	0.649	S	S	*	*			trans	-55.2	112.1	178.1	-76.9	-179.6	174.9	179.5	0	110	I37	I37-K39 PolarHBondContact O-N 3.1Å
40	M	30.6	Very low	30.5	Very low	109 Å²	109	127 Å²	127	54%	0.537	65%	0.645	S	S	.	*			trans	-81.8	140.4	172	-178.9	176	-90	0	0	109.8	T38 E44 F45	T38-M40 PolarHBondContact O-N 3.36Å; M40-E44 HydrophobicContact CE-CB 4.05Å; M40-E44 HydrophobicContact CG-CB 3.26Å; M40-E44 HydrophobicContact CG-CG 4.33Å; M40-E44 VanDerWaalsContact SD-C 3.58Å; M40-E44 HydrophobicContact SD-CB 3.74Å; M40-F45 HydrophobicContact SD-CB 4.27Å; M40-F45 PolarHBondContact SD-N 3.07Å
41	S	32.7	Very low	31.3	Very low	49 Å²	49	125.1 Å²	125.1	34%	0.343	64%	0.636	S	S	.	*			trans	-72	152.4	173.5	65.6	0	0	0	0	111.2	T43 E44 F45	S41-T43 PolarHBondContact O-N 2.8Å; S41-T43 VanDerWaalsContact O-N 3.15Å; S41-T43 PolarHBondContact OG-OG1 3.39Å; S41-T43 VanDerWaalsContact OG-OG1 3.09Å; S41-E44 WeakPolarHBondContact CB-OE2 2.97Å; S41-E44 PolarHBondContact N-OE2 3.01Å; S41-E44 PolarHBondContact O-N 3.2Å; S41-E44 WeakPolarHBondContact OG-CG 3.48Å; S41-E44 PolarHBondContact OG-N 3.18Å; S41-E44 PolarHBondContact OG-OE2 2.71Å; S41-F45 PolarHBondContact O-N 3.05Å
42	Y	36.8	Very low	31.7	Very low	174 Å²	174	120.5 Å²	120.5	68%	0.682	62%	0.623	S	S	*	*	H	α-helix	trans	-55.4	-34.6	179.2	-175.2	-106.1	0	0	0	112.8	F45 L46	Y42-F45 PolarHBondContact O-N 3.46Å; Y42-L46 HydrophobicContact CD1-CD1 3.91Å; Y42-L46 HydrophobicContact CD1-CG 4.42Å; Y42-L46 HydrophobicContact CE1-CD1 3.51Å; Y42-L46 HydrophobicContact CE1-CG 4.12Å; Y42-L46 WeakPolarHBondContact O-CG 3.08Å; Y42-L46 PolarHBondContact O-N 2.82Å
43	T	38.7	Very low	32.1	Very low	94 Å²	94	119.2 Å²	119.2	58%	0.577	61%	0.611	S	S	*	*	H	α-helix	trans	-64.8	-41.3	174	32.7	0	0	0	0	113.2	S41 L46 T47	S41-T43 PolarHBondContact O-N 2.8Å; S41-T43 VanDerWaalsContact O-N 3.15Å; S41-T43 PolarHBondContact OG-OG1 3.39Å; S41-T43 VanDerWaalsContact OG-OG1 3.09Å; T43-L46 PolarHBondContact O-N 2.73Å; T43-T47 PolarHBondContact O-N 2.7Å; T43-T47 PolarHBondContact O-OG1 2.96Å
44	E	39.1	Very low	32.7	Very low	102 Å²	102	113.3 Å²	113.3	48%	0.477	59%	0.589	S	S	.	*	H	α-helix	trans	-68.3	-37.2	175	-75.6	164.6	140.4	0	0	111.4	M40 S41 T47 S48	M40-E44 HydrophobicContact CE-CB 4.05Å; M40-E44 HydrophobicContact CG-CB 3.26Å; M40-E44 HydrophobicContact CG-CG 4.33Å; M40-E44 VanDerWaalsContact SD-C 3.58Å; M40-E44 HydrophobicContact SD-CB 3.74Å; S41-E44 WeakPolarHBondContact CB-OE2 2.97Å; S41-E44 PolarHBondContact N-OE2 3.01Å; S41-E44 PolarHBondContact O-N 3.2Å; S41-E44 WeakPolarHBondContact OG-CG 3.48Å; S41-E44 PolarHBondContact OG-N 3.18Å; S41-E44 PolarHBondContact OG-OE2 2.71Å; E44-T47 PolarHBondContact O-N 2.92Å; E44-S48 PolarHBondContact O-N 3.38Å
45	F	36.9	Very low	33.2	Very low	106 Å²	106	111.1 Å²	111.1	47%	0.465	59%	0.587	S	S	.	*	H	α-helix	trans	-60.3	-46.5	174.3	174.3	-103.3	0	0	0	111.7	M40 S41 Y42 T47 S48 L49	M40-F45 HydrophobicContact SD-CB 4.27Å; M40-F45 PolarHBondContact SD-N 3.07Å; S41-F45 PolarHBondContact O-N 3.05Å; Y42-F45 PolarHBondContact O-N 3.46Å; F45-T47 VanDerWaalsContact C-N 3.31Å; F45-T47 PolarHBondContact O-N 3.45Å; F45-S48 PolarHBondContact O-N 3.14Å; F45-L49 HydrophobicContact CD1-CD1 3.91Å; F45-L49 HydrophobicContact CE1-CD1 3.38Å; F45-L49 HydrophobicContact CE1-CG 4.42Å; F45-L49 HydrophobicContact CE2-CD1 4.37Å; F45-L49 HydrophobicContact CZ-CD1 3.65Å; F45-L49 HydrophobicContact CZ-CG 4.33Å; F45-L49 PolarHBondContact O-N 3.31Å
46	L	35.9	Very low	33.7	Very low	78 Å²	78	106.8 Å²	106.8	41%	0.408	56%	0.564	S	S	.	*	H	α-helix	trans	-63.1	-37.1	174.6	-71.7	177.3	0	0	0	112.2	Y42 T43 L49 K50	Y42-L46 HydrophobicContact CD1-CD1 3.91Å; Y42-L46 HydrophobicContact CD1-CG 4.42Å; Y42-L46 HydrophobicContact CE1-CD1 3.51Å; Y42-L46 HydrophobicContact CE1-CG 4.12Å; Y42-L46 WeakPolarHBondContact O-CG 3.08Å; Y42-L46 PolarHBondContact O-N 2.82Å; T43-L46 PolarHBondContact O-N 2.73Å; L46-L49 HydrophobicContact CD2-CD1 4.45Å; L46-L49 PolarHBondContact O-N 3.03Å; L46-K50 WeakPolarHBondContact O-CB 3.48Å; L46-K50 PolarHBondContact O-N 3.43Å
47	T	40	Very low	34.2	Very low	78 Å²	78	109 Å²	109	48%	0.479	57%	0.57	S	S	.	*	H	α-helix	trans	-68.9	-36.3	177.3	-46.2	0	0	0	0	111.3	T43 E44 F45 K50 N51	T43-T47 PolarHBondContact O-N 2.7Å; T43-T47 PolarHBondContact O-OG1 2.96Å; E44-T47 PolarHBondContact O-N 2.92Å; F45-T47 VanDerWaalsContact C-N 3.31Å; F45-T47 PolarHBondContact O-N 3.45Å; T47-K50 PolarHBondContact O-N 3.33Å; T47-N51 PolarHBondContact O-N 2.99Å
48	S	37.1	Very low	34.7	Very low	26 Å²	26	109.8 Å²	109.8	18%	0.182	56%	0.562	C	S	.	*	H	α-helix	trans	-66.1	-41.6	174.7	-163.6	0	0	0	0	112.1	E44 F45 K50 N51 G52 L53	E44-S48 PolarHBondContact O-N 3.38Å; F45-S48 PolarHBondContact O-N 3.14Å; S48-K50 VanDerWaalsContact C-N 3.34Å; S48-N51 PolarHBondContact O-N 2.97Å; S48-G52 PolarHBondContact O-N 3.41Å; S48-L53 PolarHBondContact O-N 3.4Å; S48-L53 PolarHBondContact OG-O 3.27Å
49	L	34	Very low	35.2	Very low	95 Å²	95	105.4 Å²	105.4	50%	0.497	54%	0.536	S	S	.	.	H	α-helix	trans	-60.7	-43.2	172.6	-83.3	165.7	0	0	0	111.5	F45 L46 N51 G52	F45-L49 HydrophobicContact CD1-CD1 3.91Å; F45-L49 HydrophobicContact CE1-CD1 3.38Å; F45-L49 HydrophobicContact CE1-CG 4.42Å; F45-L49 HydrophobicContact CE2-CD1 4.37Å; F45-L49 HydrophobicContact CZ-CD1 3.65Å; F45-L49 HydrophobicContact CZ-CG 4.33Å; F45-L49 PolarHBondContact O-N 3.31Å; L46-L49 HydrophobicContact CD2-CD1 4.45Å; L46-L49 PolarHBondContact O-N 3.03Å; L49-N51 VanDerWaalsContact C-N 3.32Å; L49-N51 PolarHBondContact O-N 2.92Å; L49-G52 PolarHBondContact O-N 3.27Å
50	K	35.6	Very low	35.6	Very low	187 Å²	187	100.1 Å²	100.1	81%	0.813	52%	0.517	S	S	*	.	H	α-helix	trans	-67.8	-31	-179.2	-153.6	176.3	-173.6	-180	0	113.1	L46 T47 S48	L46-K50 WeakPolarHBondContact O-CB 3.48Å; L46-K50 PolarHBondContact O-N 3.43Å; T47-K50 PolarHBondContact O-N 3.33Å; S48-K50 VanDerWaalsContact C-N 3.34Å
51	N	38.5	Very low	36.1	Very low	110 Å²	110	100 Å²	100	59%	0.588	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	3.9	179.4	-68.6	-15.3	0	0	0	113.8	T47 S48 L49 L53	T47-N51 PolarHBondContact O-N 2.99Å; S48-N51 PolarHBondContact O-N 2.97Å; L49-N51 VanDerWaalsContact C-N 3.32Å; L49-N51 PolarHBondContact O-N 2.92Å; N51-L53 HydrophobicContact CB-CD1 4.3Å; N51-L53 PolarHBondContact O-N 2.94Å; N51-L53 VanDerWaalsContact O-N 3.15Å
52	G	31.9	Very low	36.5	Very low	52 Å²	52	101.1 Å²	101.1	54%	0.536	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	16.4	174.4	0	0	0	0	0	115.2	S48 L49 C54	S48-G52 PolarHBondContact O-N 3.41Å; L49-G52 PolarHBondContact O-N 3.27Å; G52-C54 PolarHBondContact O-N 3.46Å
53	L	30.1	Very low	36.9	Very low	116 Å²	116	95.8 Å²	95.8	61%	0.607	52%	0.521	S	S	*	.			trans	-84.7	113.1	-179.1	-73.4	162.1	0	0	0	109.6	S48 N51	S48-L53 PolarHBondContact O-N 3.4Å; S48-L53 PolarHBondContact OG-O 3.27Å; N51-L53 HydrophobicContact CB-CD1 4.3Å; N51-L53 PolarHBondContact O-N 2.94Å; N51-L53 VanDerWaalsContact O-N 3.15Å
54	C	35.4	Very low	37.2	Very low	52 Å²	52	96.5 Å²	96.5	35%	0.351	52%	0.522	S	S	.	.			trans	-70.5	131.5	174.8	-166.8	0	0	0	0	110.2	G52 D56 C59	G52-C54 PolarHBondContact O-N 3.46Å; C54-D56 PolarHBondContact O-N 3.44Å; C54-C59 HydrophobicContact CB-CB 4.35Å
55	V	37.7	Very low	37.3	Very low	128 Å²	128	95.6 Å²	95.6	78%	0.776	52%	0.519	S	S	*	.	S	Bend	trans	-75.4	-9.1	-170.9	-172.9	0	0	0	0	113
56	D	35.2	Very low	37.1	Very low	54 Å²	54	94.7 Å²	94.7	29%	0.289	52%	0.516	S	S	.	.			trans	-103.5	110.8	179.2	-162.2	-29.5	0	0	0	110	C54 R58 C59	C54-D56 PolarHBondContact O-N 3.44Å; D56-R58 PolarHBondContact O-N 3.19Å; D56-R58 VanDerWaalsContact OD1-CB 3.25Å; D56-R58 WeakPolarHBondContact OD1-CB 3.29Å; D56-R58 WeakPolarHBondContact OD1-CG 2.92Å; D56-R58 IonicContact OD1-CZ 2.94Å; D56-R58 PolarHBondContact OD1-N 2.97Å; D56-R58 VanDerWaalsContact OD1-N 3.09Å; D56-R58 IonicContact OD1-NE 3.74Å; D56-R58 PolarHBondContact OD1-NE 3.42Å; D56-R58 IonicContact OD1-NH2 3.89Å; D56-R58 IonicContact OD2-CZ 2.85Å; D56-R58 IonicContact OD2-NE 3.79Å; D56-R58 PolarHBondContact OD2-NE 2.78Å; D56-R58 IonicContact OD2-NH2 3.41Å; D56-R58 PolarHBondContact OD2-NH2 3.33Å; D56-C59 WeakPolarHBondContact O-CB 3.32Å; D56-C59 PolarHBondContact O-N 3.09Å
57	E	35.7	Very low	37.5	Very low	177 Å²	177	95.9 Å²	95.9	83%	0.827	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-55.4	-21.7	177.5	-72.8	-171.8	160.7	0	0	112.6	C59 N60	E57-C59 VanDerWaalsContact C-N 3.28Å; E57-C59 PolarHBondContact O-N 2.92Å; E57-N60 PolarHBondContact O-N 2.78Å
58	R	34.7	Very low	37.7	Very low	189 Å²	189	98.9 Å²	98.9	71%	0.713	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-71.2	-20.3	175.3	-59.5	174.6	-69.1	-177.4	1.5	113.4	D56 S61	D56-R58 PolarHBondContact O-N 3.19Å; D56-R58 VanDerWaalsContact OD1-CB 3.25Å; D56-R58 WeakPolarHBondContact OD1-CB 3.29Å; D56-R58 WeakPolarHBondContact OD1-CG 2.92Å; D56-R58 IonicContact OD1-CZ 2.94Å; D56-R58 PolarHBondContact OD1-N 2.97Å; D56-R58 VanDerWaalsContact OD1-N 3.09Å; D56-R58 IonicContact OD1-NE 3.74Å; D56-R58 PolarHBondContact OD1-NE 3.42Å; D56-R58 IonicContact OD1-NH2 3.89Å; D56-R58 IonicContact OD2-CZ 2.85Å; D56-R58 IonicContact OD2-NE 3.79Å; D56-R58 PolarHBondContact OD2-NE 2.78Å; D56-R58 IonicContact OD2-NH2 3.41Å; D56-R58 PolarHBondContact OD2-NH2 3.33Å; R58-S61 PolarHBondContact O-OG 3.25Å; R58-S61 VanDerWaalsContact O-OG 3.11Å
59	C	36.7	Very low	37.8	Very low	29 Å²	29	102.5 Å²	102.5	20%	0.196	54%	0.542	C	S	.	.	G	3₁₀ helix	trans	-80.1	-14.9	178.6	-74.2	0	0	0	0	113.4	C54 D56 E57 S61	C54-C59 HydrophobicContact CB-CB 4.35Å; D56-C59 WeakPolarHBondContact O-CB 3.32Å; D56-C59 PolarHBondContact O-N 3.09Å; E57-C59 VanDerWaalsContact C-N 3.28Å; E57-C59 PolarHBondContact O-N 2.92Å; C59-S61 VanDerWaalsContact C-N 3.32Å; C59-S61 PolarHBondContact O-N 2.72Å
60	N	33.7	Very low	37.9	Very low	98 Å²	98	104.3 Å²	104.3	52%	0.524	55%	0.548	S	S	.	.	G	3₁₀ helix	trans	-76.9	-16.2	178.7	-81.4	-17.9	0	0	0	114	E57 Q66	E57-N60 PolarHBondContact O-N 2.78Å; N60-Q66 PolarHBondContact OD1-NE2 2.93Å
61	S	41.9	Very low	38.3	Very low	107 Å²	107	100.5 Å²	100.5	75%	0.748	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-89.6	-13.9	-178.7	46.2	0	0	0	0	114.7	R58 C59	R58-S61 PolarHBondContact O-OG 3.25Å; R58-S61 VanDerWaalsContact O-OG 3.11Å; C59-S61 VanDerWaalsContact C-N 3.32Å; C59-S61 PolarHBondContact O-N 2.72Å
62	D	41.2	Very low	38.3	Very low	71 Å²	71	99.1 Å²	99.1	38%	0.38	53%	0.532	S	S	.	.			trans	-117.3	96.8	-175.1	-161.9	-24.6	0	0	0	111.2	N64 I65 Q66	D62-N64 PolarHBondContact O-N 3.08Å; D62-N64 VanDerWaalsContact O-N 3.07Å; D62-N64 VanDerWaalsContact OD1-CB 3.3Å; D62-N64 WeakPolarHBondContact OD1-CB 3.45Å; D62-N64 PolarHBondContact OD1-N 3.49Å; D62-I65 HydrophobicContact CB-CB 4.23Å; D62-I65 HydrophobicContact CB-CD1 3.94Å; D62-I65 HydrophobicContact CB-CG1 4.01Å; D62-I65 PolarHBondContact O-N 3.25Å; D62-Q66 PolarHBondContact O-N 2.91Å
63	A	45.7	Very low	38.3	Very low	62 Å²	62	99.1 Å²	99.1	51%	0.512	52%	0.519	S	S	.	.	H	α-helix	trans	-55.6	-25.9	178.3	0	0	0	0	0	112.7	N67	A63-N67 VanDerWaalsContact O-CB 3.31Å; A63-N67 WeakPolarHBondContact O-CB 3.49Å; A63-N67 PolarHBondContact O-N 3.37Å; A63-N67 PolarHBondContact O-ND2 3.22Å
64	N	45.1	Very low	38.5	Very low	110 Å²	110	97 Å²	97	59%	0.588	51%	0.514	S	S	*	.	H	α-helix	trans	-75.8	-35.5	-179.8	-130.9	-8.9	0	0	0	111.8	D62 K68	D62-N64 PolarHBondContact O-N 3.08Å; D62-N64 VanDerWaalsContact O-N 3.07Å; D62-N64 VanDerWaalsContact OD1-CB 3.3Å; D62-N64 WeakPolarHBondContact OD1-CB 3.45Å; D62-N64 PolarHBondContact OD1-N 3.49Å; N64-K68 PolarHBondContact O-N 3.42Å
65	I	39.8	Very low	38.7	Very low	83 Å²	83	100.5 Å²	100.5	43%	0.426	52%	0.524	S	S	.	.	H	α-helix	trans	-72.1	-42.9	173.4	-60.6	178.4	0	0	0	109.7	D62 N67 K68 F69	D62-I65 HydrophobicContact CB-CB 4.23Å; D62-I65 HydrophobicContact CB-CD1 3.94Å; D62-I65 HydrophobicContact CB-CG1 4.01Å; D62-I65 PolarHBondContact O-N 3.25Å; I65-N67 VanDerWaalsContact C-N 3.33Å; I65-N67 PolarHBondContact O-N 3.25Å; I65-K68 PolarHBondContact O-N 3.5Å; I65-F69 VanDerWaalsContact O-CB 3.3Å; I65-F69 WeakPolarHBondContact O-CB 3.46Å; I65-F69 PolarHBondContact O-N 2.96Å
66	Q	33.6	Very low	38.5	Very low	86 Å²	86	97.8 Å²	97.8	40%	0.402	51%	0.51	S	S	.	.	H	α-helix	trans	-57.2	-46.2	172.5	-83.9	-171.9	-16.5	0	0	111.3	N60 D62 F69 H70	N60-Q66 PolarHBondContact OD1-NE2 2.93Å; D62-Q66 PolarHBondContact O-N 2.91Å; Q66-F69 PolarHBondContact O-N 3.29Å; Q66-H70 WeakPolarHBondContact O-CB 3.14Å; Q66-H70 PolarHBondContact O-N 3.25Å
67	N	44.9	Very low	38.2	Very low	103 Å²	103	99.5 Å²	99.5	55%	0.551	52%	0.518	S	S	*	.	H	α-helix	trans	-64.2	-44.1	179	-75.9	-21.4	0	0	0	112.6	A63 I65 F69 H70 E71	A63-N67 VanDerWaalsContact O-CB 3.31Å; A63-N67 WeakPolarHBondContact O-CB 3.49Å; A63-N67 PolarHBondContact O-N 3.37Å; A63-N67 PolarHBondContact O-ND2 3.22Å; I65-N67 VanDerWaalsContact C-N 3.33Å; I65-N67 PolarHBondContact O-N 3.25Å; N67-F69 VanDerWaalsContact C-N 3.34Å; N67-F69 PolarHBondContact O-N 3.47Å; N67-H70 PolarHBondContact O-N 2.87Å; N67-E71 WeakPolarHBondContact O-CB 3.42Å; N67-E71 PolarHBondContact O-N 2.75Å
68	K	44.4	Very low	38	Very low	142 Å²	142	95 Å²	95	62%	0.617	50%	0.5	S	S	*	.	H	α-helix	trans	-64.7	-37.8	176.2	-80.7	-174.8	177	-179	0	112.8	N64 I65 E71 S72	N64-K68 PolarHBondContact O-N 3.42Å; I65-K68 PolarHBondContact O-N 3.5Å; K68-E71 PolarHBondContact O-N 2.84Å; K68-S72 WeakPolarHBondContact O-CB 3.11Å; K68-S72 PolarHBondContact O-N 3.12Å; K68-S72 PolarHBondContact O-OG 3.11Å
69	F	38.5	Very low	38	Very low	102 Å²	102	92 Å²	92	45%	0.447	50%	0.498	S	S	.	.	H	α-helix	trans	-66.4	-45.3	174.2	-174.1	-98.3	0	0	0	110.6	I65 Q66 N67 E71 S72 L73	I65-F69 VanDerWaalsContact O-CB 3.3Å; I65-F69 WeakPolarHBondContact O-CB 3.46Å; I65-F69 PolarHBondContact O-N 2.96Å; Q66-F69 PolarHBondContact O-N 3.29Å; N67-F69 VanDerWaalsContact C-N 3.34Å; N67-F69 PolarHBondContact O-N 3.47Å; F69-E71 VanDerWaalsContact C-N 3.31Å; F69-E71 PolarHBondContact O-N 3.27Å; F69-S72 PolarHBondContact O-N 3.3Å; F69-L73 HydrophobicContact CE1-CD2 4.15Å; F69-L73 HydrophobicContact CZ-CD1 4.45Å; F69-L73 WeakPolarHBondContact O-CB 3.27Å; F69-L73 PolarHBondContact O-N 3.44Å
70	H	36.1	Very low	37.5	Very low	132 Å²	132	96.7 Å²	96.7	61%	0.611	52%	0.516	S	S	*	.	H	α-helix	trans	-62.2	-37.2	175.9	-130.4	-68.3	0	0	0	112	Q66 N67 S74	Q66-H70 WeakPolarHBondContact O-CB 3.14Å; Q66-H70 PolarHBondContact O-N 3.25Å; N67-H70 PolarHBondContact O-N 2.87Å; H70-S74 WeakPolarHBondContact O-CB 3.45Å; H70-S74 PolarHBondContact O-N 3.1Å
71	E	43.5	Very low	37.2	Very low	108 Å²	108	95.3 Å²	95.3	51%	0.505	51%	0.511	S	S	.	.	H	α-helix	trans	-71.2	-41.9	178.2	-154.9	-162.4	148.6	0	0	111.8	N67 K68 F69 K75	N67-E71 WeakPolarHBondContact O-CB 3.42Å; N67-E71 PolarHBondContact O-N 2.75Å; K68-E71 PolarHBondContact O-N 2.84Å; F69-E71 VanDerWaalsContact C-N 3.31Å; F69-E71 PolarHBondContact O-N 3.27Å; E71-K75 WeakPolarHBondContact O-CB 3.15Å; E71-K75 WeakPolarHBondContact O-CG 3.29Å; E71-K75 PolarHBondContact O-N 3.29Å; E71-K75 IonicContact OE1-NZ 2.7Å; E71-K75 PolarHBondContact OE1-NZ 3.42Å
72	S	37.7	Very low	36.7	Very low	80 Å²	80	97.6 Å²	97.6	56%	0.559	50%	0.503	S	S	*	.	H	α-helix	trans	-68.8	-40.9	175.1	-70.3	0	0	0	0	112.1	K68 F69 K75 S76	K68-S72 WeakPolarHBondContact O-CB 3.11Å; K68-S72 PolarHBondContact O-N 3.12Å; K68-S72 PolarHBondContact O-OG 3.11Å; F69-S72 PolarHBondContact O-N 3.3Å; S72-K75 PolarHBondContact O-N 3.38Å; S72-S76 WeakPolarHBondContact O-CB 3.42Å; S72-S76 PolarHBondContact O-N 3.23Å
73	L	33.1	Very low	36.2	Very low	53 Å²	53	96.7 Å²	96.7	28%	0.277	51%	0.506	S	S	.	.	H	α-helix	trans	-67.6	-41.4	177	-165.3	76.5	0	0	0	110.5	F69 S76 I77	F69-L73 HydrophobicContact CE1-CD2 4.15Å; F69-L73 HydrophobicContact CZ-CD1 4.45Å; F69-L73 WeakPolarHBondContact O-CB 3.27Å; F69-L73 PolarHBondContact O-N 3.44Å; L73-S76 PolarHBondContact O-N 3.1Å; L73-I77 HydrophobicContact CD2-CD1 4.18Å; L73-I77 HydrophobicContact CG-CD1 3.87Å; L73-I77 HydrophobicContact CG-CG1 4.39Å; L73-I77 WeakPolarHBondContact O-CB 3.33Å; L73-I77 VanDerWaalsContact O-CG1 3.25Å; L73-I77 WeakPolarHBondContact O-CG1 3.36Å; L73-I77 PolarHBondContact O-N 3.03Å
74	S	34.6	Very low	35.2	Very low	71 Å²	71	97.2 Å²	97.2	50%	0.497	50%	0.5	S	S	.	.	H	α-helix	trans	-61.1	-46.8	173.7	-169.3	0	0	0	0	110.8	H70 S76 I77 D78	H70-S74 WeakPolarHBondContact O-CB 3.45Å; H70-S74 PolarHBondContact O-N 3.1Å; S74-S76 VanDerWaalsContact C-N 3.32Å; S74-S76 PolarHBondContact O-N 3.36Å; S74-I77 PolarHBondContact O-N 2.78Å; S74-D78 VanDerWaalsContact O-CB 3.25Å; S74-D78 WeakPolarHBondContact O-CB 3.48Å; S74-D78 PolarHBondContact O-N 3.43Å
75	K	39.1	Very low	34.3	Very low	126 Å²	126	98.7 Å²	98.7	55%	0.548	50%	0.503	S	S	.	.	H	α-helix	trans	-59.2	-40.5	174.3	-81.4	171.6	176.8	154.9	0	112.8	E71 S72 L79	E71-K75 WeakPolarHBondContact O-CB 3.15Å; E71-K75 WeakPolarHBondContact O-CG 3.29Å; E71-K75 PolarHBondContact O-N 3.29Å; E71-K75 IonicContact OE1-NZ 2.7Å; E71-K75 PolarHBondContact OE1-NZ 3.42Å; S72-K75 PolarHBondContact O-N 3.38Å; K75-L79 WeakPolarHBondContact O-CB 3.29Å; K75-L79 PolarHBondContact O-N 3.12Å; K75-L79 VanDerWaalsContact O-N 3.1Å
76	S	32.8	Very low	33.9	Very low	71 Å²	71	102.7 Å²	102.7	50%	0.497	52%	0.52	S	S	.	.	H	α-helix	trans	-71.7	-42.2	179.9	-174.7	0	0	0	0	112.2	S72 L73 S74 L79 H80	S72-S76 WeakPolarHBondContact O-CB 3.42Å; S72-S76 PolarHBondContact O-N 3.23Å; L73-S76 PolarHBondContact O-N 3.1Å; S74-S76 VanDerWaalsContact C-N 3.32Å; S74-S76 PolarHBondContact O-N 3.36Å; S76-L79 WeakPolarHBondContact O-CB 3.32Å; S76-L79 PolarHBondContact O-N 3.45Å; S76-H80 WeakPolarHBondContact O-CB 3.48Å; S76-H80 PolarHBondContact O-N 2.84Å
77	I	29.8	Very low	33.6	Very low	90 Å²	90	103 Å²	103	46%	0.462	53%	0.528	S	S	.	.	H	α-helix	trans	-64.4	-42.5	174	-69	169.8	0	0	0	110.1	L73 S74 L79 H80 V81	L73-I77 HydrophobicContact CD2-CD1 4.18Å; L73-I77 HydrophobicContact CG-CD1 3.87Å; L73-I77 HydrophobicContact CG-CG1 4.39Å; L73-I77 WeakPolarHBondContact O-CB 3.33Å; L73-I77 VanDerWaalsContact O-CG1 3.25Å; L73-I77 WeakPolarHBondContact O-CG1 3.36Å; L73-I77 PolarHBondContact O-N 3.03Å; S74-I77 PolarHBondContact O-N 2.78Å; I77-L79 VanDerWaalsContact C-N 3.3Å; I77-L79 PolarHBondContact O-N 2.99Å; I77-H80 CarbonylContact O-C 3.54Å; I77-H80 PolarHBondContact O-N 3.3Å; I77-H80 VanDerWaalsContact O-N 3.07Å; I77-V81 HydrophobicContact CG2-CG2 3.87Å; I77-V81 WeakPolarHBondContact O-CB 3.37Å; I77-V81 VanDerWaalsContact O-CG2 3.31Å; I77-V81 WeakPolarHBondContact O-CG2 3.43Å; I77-V81 PolarHBondContact O-N 2.74Å
78	D	30.8	Very low	32.6	Very low	81 Å²	81	102.9 Å²	102.9	43%	0.433	53%	0.533	S	S	.	.	H	α-helix	trans	-64.8	-36.6	-179.7	-146.5	48	0	0	0	111.5	S74 R82	S74-D78 VanDerWaalsContact O-CB 3.25Å; S74-D78 WeakPolarHBondContact O-CB 3.48Å; S74-D78 PolarHBondContact O-N 3.43Å; D78-R82 WeakPolarHBondContact O-CB 3.22Å; D78-R82 PolarHBondContact O-N 3.05Å; D78-R82 IonicContact OD2-CZ 3.72Å; D78-R82 IonicContact OD2-NE 3.96Å; D78-R82 IonicContact OD2-NH2 3.56Å; D78-R82 PolarHBondContact OD2-NH2 2.97Å
79	L	34.8	Very low	31.7	Very low	128 Å²	128	103.5 Å²	103.5	67%	0.67	54%	0.543	S	S	*	.	H	α-helix	trans	-64	-43	169.6	-104.2	147.4	0	0	0	112.1	K75 S76 I77 A83	K75-L79 WeakPolarHBondContact O-CB 3.29Å; K75-L79 PolarHBondContact O-N 3.12Å; K75-L79 VanDerWaalsContact O-N 3.1Å; S76-L79 WeakPolarHBondContact O-CB 3.32Å; S76-L79 PolarHBondContact O-N 3.45Å; I77-L79 VanDerWaalsContact C-N 3.3Å; I77-L79 PolarHBondContact O-N 2.99Å; L79-A83 WeakPolarHBondContact O-CB 3.08Å; L79-A83 PolarHBondContact O-N 3.3Å
80	H	26.3	Very low	31.1	Very low	127 Å²	127	104.7 Å²	104.7	59%	0.588	56%	0.559	S	S	*	*	H	α-helix	trans	-77.2	-31.8	-176.7	-137.4	64.5	0	0	0	113.2	S76 I77 N84	S76-H80 WeakPolarHBondContact O-CB 3.48Å; S76-H80 PolarHBondContact O-N 2.84Å; I77-H80 CarbonylContact O-C 3.54Å; I77-H80 PolarHBondContact O-N 3.3Å; I77-H80 VanDerWaalsContact O-N 3.07Å; H80-N84 PolarHBondContact CD2-ND2 3.07Å; H80-N84 WeakPolarHBondContact O-CB 3.24Å; H80-N84 PolarHBondContact O-N 2.96Å; H80-N84 PolarHBondContact O-ND2 3.43Å
81	V	27.7	Very low	30.5	Very low	68 Å²	68	102 Å²	102	41%	0.412	57%	0.567	S	S	.	*	H	α-helix	trans	-71.7	-42.8	172.6	173	0	0	0	0	109.6	I77 A83 N84 E85	I77-V81 HydrophobicContact CG2-CG2 3.87Å; I77-V81 WeakPolarHBondContact O-CB 3.37Å; I77-V81 VanDerWaalsContact O-CG2 3.31Å; I77-V81 WeakPolarHBondContact O-CG2 3.43Å; I77-V81 PolarHBondContact O-N 2.74Å; V81-A83 VanDerWaalsContact C-N 3.3Å; V81-A83 PolarHBondContact O-N 3.43Å; V81-N84 PolarHBondContact O-N 3.23Å; V81-E85 HydrophobicContact CG1-CG 4.22Å; V81-E85 WeakPolarHBondContact O-CB 3.25Å; V81-E85 PolarHBondContact O-N 3.19Å
82	R	30.9	Very low	29.5	Very low	155 Å²	155	103.8 Å²	103.8	59%	0.585	59%	0.585	S	S	*	*	H	α-helix	trans	-61	-39.2	171.5	-99.2	-179.4	-99.4	178.1	-8.3	112.6	D78 H86	D78-R82 WeakPolarHBondContact O-CB 3.22Å; D78-R82 PolarHBondContact O-N 3.05Å; D78-R82 IonicContact OD2-CZ 3.72Å; D78-R82 IonicContact OD2-NE 3.96Å; D78-R82 IonicContact OD2-NH2 3.56Å; D78-R82 PolarHBondContact OD2-NH2 2.97Å; R82-H86 PolarHBondContact O-CD2 3.08Å
83	A	31.1	Very low	28.9	Very low	52 Å²	52	104 Å²	104	43%	0.43	59%	0.591	S	S	.	*	H	α-helix	trans	-64.9	-41.2	175.2	0	0	0	0	0	111.9	L79 V81 V87	L79-A83 WeakPolarHBondContact O-CB 3.08Å; L79-A83 PolarHBondContact O-N 3.3Å; V81-A83 VanDerWaalsContact C-N 3.3Å; V81-A83 PolarHBondContact O-N 3.43Å; A83-V87 WeakPolarHBondContact O-CG2 3.09Å
84	N	24.4	Very low	28.2	Very low	74 Å²	74	109.1 Å²	109.1	40%	0.396	62%	0.618	S	S	.	*	H	α-helix	trans	-83	-28.9	-177.4	-77	-57.5	0	0	0	114.5	H80 V81 H86 V87 C88	H80-N84 PolarHBondContact CD2-ND2 3.07Å; H80-N84 WeakPolarHBondContact O-CB 3.24Å; H80-N84 PolarHBondContact O-N 2.96Å; H80-N84 PolarHBondContact O-ND2 3.43Å; V81-N84 PolarHBondContact O-N 3.23Å; N84-H86 PolarHBondContact O-N 3.18Å; N84-V87 PolarHBondContact O-N 2.92Å; N84-C88 PolarHBondContact O-N 2.94Å; N84-C88 PolarHBondContact O-SG 3.39Å
85	E	26.7	Very low	27.7	Very low	140 Å²	140	110.4 Å²	110.4	65%	0.654	63%	0.633	S	S	*	*	H	α-helix	trans	-62.8	-29.9	171.4	-82.2	-171.9	160.5	0	0	111.5	V81 V87	V81-E85 HydrophobicContact CG1-CG 4.22Å; V81-E85 WeakPolarHBondContact O-CB 3.25Å; V81-E85 PolarHBondContact O-N 3.19Å; E85-V87 VanDerWaalsContact C-N 3.32Å
86	H	30.7	Very low	26.8	Very low	168 Å²	168	112.6 Å²	112.6	78%	0.778	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-19.5	171	-84.5	-68.5	0	0	0	114	R82 N84	R82-H86 PolarHBondContact O-CD2 3.08Å; N84-H86 PolarHBondContact O-N 3.18Å
87	V	28.3	Very low	26.2	Very low	93 Å²	93	115.6 Å²	115.6	56%	0.564	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	-23.1	-179.7	178.7	0	0	0	0	112.4	A83 N84 E85 N89	A83-V87 WeakPolarHBondContact O-CG2 3.09Å; N84-V87 PolarHBondContact O-N 2.92Å; E85-V87 VanDerWaalsContact C-N 3.32Å; V87-N89 VanDerWaalsContact C-N 3.3Å; V87-N89 PolarHBondContact O-N 2.79Å
88	C	24.1	Very low	25.9	Very low	99 Å²	99	119.9 Å²	119.9	67%	0.669	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	2.5	-175.3	-77.3	0	0	0	0	116.6	N84	N84-C88 PolarHBondContact O-N 2.94Å; N84-C88 PolarHBondContact O-SG 3.39Å
89	N	25.9	Very low	25.4	Very low	155 Å²	155	120.7 Å²	120.7	83%	0.829	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	13.1	175.3	-86.4	-21.9	0	0	0	115.4	V87	V87-N89 VanDerWaalsContact C-N 3.3Å; V87-N89 PolarHBondContact O-N 2.79Å
90	T	25.6	Very low	24.8	Very low	128 Å²	128	121.7 Å²	121.7	79%	0.785	69%	0.689	S	S	*	*			trans	-136.4	45.7	171.4	56.1	0	0	0	0	112.8
91	G	23.2	Very low	24.5	Very low	75 Å²	75	121.9 Å²	121.9	77%	0.773	70%	0.699	S	S	*	*			trans	-96	79.4	169.8	0	0	0	0	0	112.1
92	V	23.1	Very low	24.3	Very low	146 Å²	146	124.5 Å²	124.5	89%	0.885	72%	0.715	S	S	*	*			trans	-96.9	108.6	161.9	177.4	0	0	0	0	108.2
93	A	23.1	Very low	24.1	Very low	83 Å²	83	122.8 Å²	122.8	69%	0.686	72%	0.724	S	S	*	*			trans	-65.3	127.5	172.6	0	0	0	0	0	111	A95	A93-A95 PolarHBondContact O-N 3.48Å
94	I	20.2	Very low	23.6	Very low	162 Å²	162	128.5 Å²	128.5	83%	0.831	75%	0.746	S	S	*	*			trans	12.4	103.1	143.9	-37.9	172.7	0	0	0	114.6
95	A	22.3	Very low	23.5	Very low	98 Å²	98	130.6 Å²	130.6	81%	0.81	77%	0.765	S	S	*	*			trans	-127.1	106.9	156.8	0	0	0	0	0	107.9	A93	A93-A95 PolarHBondContact O-N 3.48Å
96	E	20.3	Very low	23.2	Very low	172 Å²	172	131 Å²	131	80%	0.804	77%	0.772	S	S	*	*			trans	-58.2	126.6	162.5	-65.2	172.5	149.6	0	0	108.6
97	D	22.1	Very low	22.9	Very low	134 Å²	134	128.3 Å²	128.3	72%	0.717	77%	0.769	S	S	*	*				153.3	124.8	129.4	-92	-19.3	0	0	0	114.7
98	F	21.9	Very low	22.6	Very low	180 Å²	180	133.2 Å²	133.2	79%	0.789	78%	0.783	S	S	*	*			trans	57.5	114.6	151.9	-69.9	-81	0	0	0	123.2
99	S	20.4	Very low	22.5	Very low	98 Å²	98	135.3 Å²	135.3	69%	0.685	79%	0.792	S	S	*	*				85.9	131.7	128.8	72.7	0	0	0	0	120.3
100	N	22.4	Very low	22.2	Very low	149 Å²	149	136.5 Å²	136.5	80%	0.797	79%	0.793	S	S	*	*			trans	93.6	90.6	165.1	-56.9	-20	0	0	0	118
101	T	20.7	Very low	21.9	Very low	130 Å²	130	140.5 Å²	140.5	80%	0.798	80%	0.8	S	S	*	*			trans	-5	130.4	139.4	48.9	0	0	0	0	117.8
102	V	23.9	Very low	21.8	Very low	124 Å²	124	142.7 Å²	142.7	75%	0.752	80%	0.803	S	S	*	*				177	136.8	101.9	159.5	0	0	0	0	108.5
103	P	25.4	Very low	21.6	Very low	118 Å²	118	141.7 Å²	141.7	77%	0.766	80%	0.801	S	S	*	*			trans	-86.9	142.5	-173.8	34.9	-33.2	0	0	0	111.9
104	L	21.4	Very low	21.5	Very low	172 Å²	172	144.5 Å²	144.5	90%	0.901	81%	0.81	S	S	*	*			trans	-132.2	117.6	170.2	-98.6	153.3	0	0	0	110.8
105	C	21.3	Very low	21.4	Very low	118 Å²	118	148.3 Å²	148.3	80%	0.797	81%	0.814	S	S	*	*			trans	-57.6	138	173	-64	0	0	0	0	112.8
106	N	21.7	Very low	21.4	Very low	149 Å²	149	148.5 Å²	148.5	80%	0.797	81%	0.81	S	S	*	*				50.6	110.1	129.3	-133	19	0	0	0	119.5
107	P	24.5	Very low	21.6	Very low	111 Å²	111	145.3 Å²	145.3	72%	0.721	81%	0.806	S	S	*	*			trans	-126.1	130.3	152.8	34.9	-20.8	0	0	0	111.5
108	K	21.6	Very low	21.6	Very low	197 Å²	197	147.6 Å²	147.6	86%	0.857	81%	0.813	S	S	*	*			trans	159	106	137.8	-90.2	169	-179.4	-174.7	0	109.8
109	V	22	Very low	21.6	Very low	142 Å²	142	146.2 Å²	146.2	86%	0.861	81%	0.814	S	S	*	*			trans	-145.8	135.6	130.5	-177.9	0	0	0	0	107.7
110	E	19.8	Very low	21.7	Very low	180 Å²	180	146.7 Å²	146.7	84%	0.841	82%	0.817	S	S	*	*			trans	-79.6	146.4	-164.7	-64.5	164	147	0	0	113.5
111	F	19.4	Very low	21.6	Very low	212 Å²	212	147.9 Å²	147.9	93%	0.93	82%	0.822	S	S	*	*			trans	-111.2	130.9	165.1	-80.3	-83.3	0	0	0	110.3
112	S	20.8	Very low	21.6	Very low	121 Å²	121	149.1 Å²	149.1	85%	0.846	82%	0.822	S	S	*	*			trans	-77.4	126	175.4	47.3	0	0	0	0	110.8
113	C	19.2	Very low	21.3	Very low	125 Å²	125	149 Å²	149	85%	0.845	82%	0.822	S	S	*	*			trans	-96.7	115.9	-176.8	-173	0	0	0	0	109.9
114	T	19.3	Very low	21.1	Very low	142 Å²	142	149.3 Å²	149.3	87%	0.871	82%	0.821	S	S	*	*			trans	-111.2	135.1	165.6	47.1	0	0	0	0	109.6
115	R	19.3	Very low	21.1	Very low	243 Å²	243	146 Å²	146	92%	0.917	81%	0.809	S	S	*	*			trans	-113.8	121.6	-164.4	178.7	-177.1	-178.2	169.5	1.2	110.2
116	S	22.2	Very low	21.1	Very low	102 Å²	102	148 Å²	148	71%	0.713	81%	0.812	S	S	*	*			trans	179.2	98.3	151.2	52.7	0	0	0	0	107.8
117	S	23.6	Very low	21.1	Very low	105 Å²	105	148 Å²	148	73%	0.734	81%	0.811	S	S	*	*				79	109.8	102.1	66.4	0	0	0	0	114.6
118	E	22.7	Very low	20.9	Very low	182 Å²	182	148.9 Å²	148.9	85%	0.85	81%	0.808	S	S	*	*			trans	78.2	114.2	152.8	-62.7	-179.8	174.3	0	0	119.5
119	D	22.8	Very low	20.8	Very low	151 Å²	151	146.3 Å²	146.3	81%	0.807	81%	0.809	S	S	*	*			trans	57.2	92.5	147	-60.7	-14.7	0	0	0	119.9
120	S	22.2	Very low	20.8	Very low	107 Å²	107	147.6 Å²	147.6	75%	0.748	81%	0.806	S	S	*	*				-177.4	123.7	126.7	30.8	0	0	0	0	111.6	I122	S120-I122 PolarHBondContact O-N 2.76Å
121	L	19.9	Very low	20.9	Very low	174 Å²	174	143.2 Å²	143.2	91%	0.911	80%	0.8	S	S	*	*			trans	-55.5	117.4	166.6	-76.8	136.2	0	0	0	110
122	I	19.7	Very low	20.9	Very low	157 Å²	157	141 Å²	141	81%	0.805	80%	0.798	S	S	*	*			trans	-103.6	104.6	166.7	-60.9	178.8	0	0	0	107.9	S120	S120-I122 PolarHBondContact O-N 2.76Å
123	V	19.1	Very low	20.9	Very low	121 Å²	121	141.1 Å²	141.1	73%	0.733	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-70.8	125.6	172.3	174.9	0	0	0	0	108.6
124	V	19.6	Very low	20.9	Very low	125 Å²	125	141.5 Å²	141.5	76%	0.758	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-74.3	128.9	177	177.7	0	0	0	0	108.7	D126	V124-D126 PolarHBondContact O-N 3.46Å
125	P	22	Very low	20.9	Very low	101 Å²	101	139.7 Å²	139.7	66%	0.656	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-81.2	122.4	-169	-5.1	22.9	0	0	0	112.4	I127	P125-I127 PolarHBondContact O-N 3.09Å
126	D	21.1	Very low	21.1	Very low	161 Å²	161	137 Å²	137	86%	0.861	79%	0.786	S	S	*	*			trans	-64.2	103.1	159.6	-72.7	-41.5	0	0	0	109.8	V124	V124-D126 PolarHBondContact O-N 3.46Å
127	I	22.5	Very low	22.1	Very low	150 Å²	150	136.8 Å²	136.8	77%	0.769	78%	0.783	S	S	*	*			trans	-101.7	85.3	166.5	-62.1	179.2	0	0	0	108.6	P125	P125-I127 PolarHBondContact O-N 3.09Å
128	I	20.3	Very low	22	Very low	128 Å²	128	139.9 Å²	139.9	66%	0.656	79%	0.791	S	S	*	*				53.1	98	128.1	-55.8	171.7	0	0	0	117	E130	I128-E130 HydrophobicContact CG2-CB 4.25Å; I128-E130 HydrophobicContact CG2-CG 3.84Å
129	T	19.2	Very low	21.9	Very low	144 Å²	144	138.6 Å²	138.6	88%	0.883	79%	0.787	S	S	*	*			trans	-62.6	106.8	143.9	-35.9	0	0	0	0	110.7
130	E	22.3	Very low	21.8	Very low	169 Å²	169	138.6 Å²	138.6	79%	0.79	78%	0.782	S	S	*	*			trans	-130.1	93.4	157.2	-88.5	-173.2	163.7	0	0	106.8	I128	I128-E130 HydrophobicContact CG2-CB 4.25Å; I128-E130 HydrophobicContact CG2-CG 3.84Å
131	A	20.7	Very low	21.8	Very low	87 Å²	87	141.6 Å²	141.6	72%	0.719	78%	0.784	S	S	*	*				58.3	59.3	88	0	0	0	0	0	114.1	V133	A131-V133 PolarHBondContact O-N 3.29Å
132	L	20.4	Very low	21.9	Very low	167 Å²	167	138.8 Å²	138.8	87%	0.874	78%	0.779	S	S	*	*			trans	-92.9	89.7	159.4	-93.8	153.6	0	0	0	109.4	C134	L132-C134 PolarHBondContact O-N 2.85Å
133	V	20.3	Very low	21.9	Very low	123 Å²	123	136.8 Å²	136.8	75%	0.745	78%	0.777	S	S	*	*			trans	-67.1	110.5	167.5	171.5	0	0	0	0	108.2	A131 S135	A131-V133 PolarHBondContact O-N 3.29Å; V133-S135 PolarHBondContact O-N 3.34Å
134	C	18.6	Very low	22	Very low	133 Å²	133	141 Å²	141	90%	0.899	79%	0.786	S	S	*	*			trans	-75.6	107.3	170.6	-68.6	0	0	0	0	109.8	L132	L132-C134 PolarHBondContact O-N 2.85Å
135	S	19.5	Very low	22.1	Very low	104 Å²	104	141.1 Å²	141.1	73%	0.727	79%	0.793	S	S	*	*			trans	-122.3	127.3	163	50.5	0	0	0	0	109.3	V133	V133-S135 PolarHBondContact O-N 3.34Å
136	E	24.4	Very low	22.1	Very low	185 Å²	185	139.9 Å²	139.9	86%	0.864	80%	0.799	S	S	*	*			trans	-51.2	-166	177.9	-55.2	178.3	145.3	0	0	115.3
137	P	42.5	Very low	22.2	Very low	99 Å²	99	140.7 Å²	140.7	64%	0.643	80%	0.802	S	S	*	*				-121.4	160.2	-63.9	31.5	-16.1	0	0	0	109.8
138	N	23.1	Very low	22.1	Very low	169 Å²	169	140.6 Å²	140.6	90%	0.904	80%	0.803	S	S	*	*			trans	-169	140.7	142.9	-95.7	-31.9	0	0	0	112.8
139	M	19	Very low	22.2	Very low	155 Å²	155	143.5 Å²	143.5	76%	0.764	81%	0.814	S	S	*	*			trans	-68.4	164.1	-173.5	-64.6	174.8	66.9	0	0	114.2
140	Q	21.1	Very low	22.3	Very low	151 Å²	151	141.7 Å²	141.7	71%	0.706	81%	0.807	S	S	*	*			trans	91.3	110.7	145.4	-81.4	168.9	6.3	0	0	119.3
141	Q	22.1	Very low	22.3	Very low	171 Å²	171	139.6 Å²	139.6	80%	0.799	81%	0.808	S	S	*	*			trans	90.1	136.4	135.3	-71.5	-179.3	-7.6	0	0	119.3
142	S	22.1	Very low	22.4	Very low	115 Å²	115	140.6 Å²	140.6	80%	0.804	81%	0.81	S	S	*	*			trans	76.2	69.1	166.4	62.6	0	0	0	0	116.9
143	C	20.7	Very low	22.6	Very low	114 Å²	114	141 Å²	141	77%	0.77	81%	0.808	S	S	*	*			trans	-45.6	149.1	137.2	-55.7	0	0	0	0	109.8
144	F	20.7	Very low	22.7	Very low	209 Å²	209	141.7 Å²	141.7	92%	0.917	81%	0.812	S	S	*	*			trans	96.8	69.4	-175.7	-58.2	-73.1	0	0	0	115.8
145	S	21.1	Very low	23	Very low	128 Å²	128	143.4 Å²	143.4	90%	0.895	80%	0.804	S	S	*	*			trans	-171.2	135	132.3	45.7	0	0	0	0	109.5
146	G	22.4	Very low	23.2	Very low	76 Å²	76	147.7 Å²	147.7	78%	0.784	81%	0.812	S	S	*	*			trans	126	28	171.8	0	0	0	0	0	117.1	N148	G146-N148 VanDerWaalsContact C-N 3.27Å; G146-N148 PolarHBondContact O-N 2.73Å
147	L	22.2	Very low	23.2	Very low	177 Å²	177	147.4 Å²	147.4	93%	0.927	81%	0.811	S	S	*	*			trans	-73.2	86.7	158.5	-83	162.7	0	0	0	108.4
148	N	21.7	Very low	22.4	Very low	149 Å²	149	150 Å²	150	80%	0.797	82%	0.817	S	S	*	*			trans	-160.2	73.2	161.4	-96.5	-21.8	0	0	0	108.1	G146	G146-N148 VanDerWaalsContact C-N 3.27Å; G146-N148 PolarHBondContact O-N 2.73Å
149	Q	23.2	Very low	22.8	Very low	188 Å²	188	146 Å²	146	88%	0.879	81%	0.807	S	S	*	*	S	Bend	trans	-167.2	124	147.9	-103.2	156.7	51.1	0	0	108
150	S	20.5	Very low	23.6	Very low	107 Å²	107	142.7 Å²	142.7	75%	0.748	79%	0.793	S	S	*	*			trans	-36.2	126.9	178.5	42.9	0	0	0	0	113.4	S152	S150-S152 PolarHBondContact O-N 2.78Å
151	P	22.7	Very low	24.8	Very low	125 Å²	125	138.3 Å²	138.3	81%	0.812	77%	0.773	S	S	*	*			trans	-69.8	106.7	177.6	28.6	-30.2	0	0	0	108.5	Q153	P151-Q153 PolarHBondContact O-N 2.85Å
152	S	22.3	Very low	25.9	Very low	107 Å²	107	136.8 Å²	136.8	75%	0.748	76%	0.761	S	S	*	*			trans	-57.5	121	161.9	37.6	0	0	0	0	107.9	S150 T154	S150-S152 PolarHBondContact O-N 2.78Å; S152-T154 PolarHBondContact O-N 3.14Å
153	Q	23.7	Very low	27.3	Very low	177 Å²	177	132 Å²	132	83%	0.827	73%	0.726	S	S	*	*			trans	-52.8	93.7	177.6	-64.5	167.4	-12.2	0	0	110.5	P151 K155	P151-Q153 PolarHBondContact O-N 2.85Å; Q153-K155 PolarHBondContact O-N 3.27Å
154	T	23.6	Very low	29	Very low	136 Å²	136	129.9 Å²	129.9	83%	0.834	71%	0.713	S	S	*	*			trans	-69.5	90.7	155.4	30.8	0	0	0	0	106.6	S152 Q156	S152-T154 PolarHBondContact O-N 3.14Å; T154-Q156 PolarHBondContact O-N 3.33Å
155	K	24	Very low	30.8	Very low	170 Å²	170	125.4 Å²	125.4	74%	0.739	69%	0.693	S	S	*	*			trans	-46.4	110.7	158.5	-70.2	178.9	175.4	-177.5	0	106.5	Q153 E157	Q153-K155 PolarHBondContact O-N 3.27Å; K155-E157 PolarHBondContact O-N 2.96Å
156	Q	24.3	Very low	32.6	Very low	193 Å²	193	121 Å²	121	90%	0.902	66%	0.661	S	S	*	*			trans	-61.6	97.6	159.3	-97.3	172.9	-22.5	0	0	105.2	T154 M158	T154-Q156 PolarHBondContact O-N 3.33Å; Q156-M158 VanDerWaalsContact C-N 3.32Å; Q156-M158 PolarHBondContact O-N 2.79Å
157	E	24.5	Very low	34.3	Very low	179 Å²	179	125.9 Å²	125.9	84%	0.836	67%	0.667	S	S	*	*			trans	-58.7	99.7	169.9	-70.5	176.4	163.9	0	0	106.6	K155 A159	K155-E157 PolarHBondContact O-N 2.96Å; E157-A159 PolarHBondContact O-N 3.08Å
158	M	25.6	Very low	36.9	Very low	155 Å²	155	121.1 Å²	121.1	76%	0.764	64%	0.642	S	S	*	*			trans	-54.7	110.2	158.4	-83.3	-171.4	171.2	0	0	105.2	Q156 D160	Q156-M158 VanDerWaalsContact C-N 3.32Å; Q156-M158 PolarHBondContact O-N 2.79Å; M158-D160 PolarHBondContact O-N 2.83Å
159	A	31	Very low	39.8	Very low	85 Å²	85	116.3 Å²	116.3	70%	0.702	62%	0.621	S	S	*	*			trans	-59	109.5	-180	0	0	0	0	0	108.4	E157 I161	E157-A159 PolarHBondContact O-N 3.08Å; A159-I161 WeakPolarHBondContact O-CG1 3.19Å; A159-I161 PolarHBondContact O-N 3.5Å
160	D	35.8	Very low	42.8	Very low	85 Å²	85	112.2 Å²	112.2	46%	0.455	61%	0.605	S	S	.	*			trans	-49.9	107.8	172.6	-62.6	0.2	0	0	0	108.4	M158 Y162 H878	M158-D160 PolarHBondContact O-N 2.83Å; D160-Y162 HydrophobicContact CB-CD2 3.9Å; D160-Y162 HydrophobicContact CB-CE2 3.44Å; D160-Y162 VanDerWaalsContact CB-CE2 3.44Å; D160-Y162 PolarHBondContact O-N 3.43Å; D160-H878 IonicContact OD1-CE1 3.71Å; D160-H878 PolarHBondContact OD1-CE1 2.95Å; D160-H878 IonicContact OD1-NE2 3.92Å; D160-H878 PolarHBondContact OD1-NE2 3.49Å
161	I	46.2	Very low	46	Very low	59 Å²	59	111.1 Å²	111.1	30%	0.303	59%	0.594	S	S	.	*			trans	-76.2	114.1	179	-61.5	174.8	0	0	0	106.8	A159 T560 F595	A159-I161 WeakPolarHBondContact O-CG1 3.19Å; A159-I161 PolarHBondContact O-N 3.5Å; I161-T560 HydrophobicContact CB-CG2 4.41Å; I161-T560 HydrophobicContact CD1-CG2 4.28Å; I161-T560 HydrophobicContact CG1-CG2 4.41Å; I161-T560 HydrophobicContact CG2-CG2 3.19Å; I161-F595 HydrophobicContact CB-CE1 4.46Å; I161-F595 HydrophobicContact CB-CE2 3.92Å; I161-F595 HydrophobicContact CB-CZ 3.51Å; I161-F595 HydrophobicContact CG2-CE1 3.71Å; I161-F595 HydrophobicContact CG2-CE2 3.94Å; I161-F595 HydrophobicContact CG2-CZ 3.21Å; I161-F595 WeakPolarHBondContact O-CZ 3.37Å
162	Y	44.6	Very low	49	Very low	139 Å²	139	106 Å²	106	55%	0.545	56%	0.561	S	S	.	*			trans	-108.7	112	176.2	-80.3	-72.5	0	0	0	111	D160 R606	D160-Y162 HydrophobicContact CB-CD2 3.9Å; D160-Y162 HydrophobicContact CB-CE2 3.44Å; D160-Y162 VanDerWaalsContact CB-CE2 3.44Å; D160-Y162 PolarHBondContact O-N 3.43Å; Y162-R606 VanDerWaalsContact CE1-NH2 3.27Å
163	L	53.1	Low	52.3	Low	13 Å²	13	101.1 Å²	101.1	7%	0.068	53%	0.526	C	S	.	.	P	Polyproline II helix	trans	-91.1	122.1	167.2	-79.5	178.3	0	0	0	110.2	Y554 N555 L556 F595 C596	L163-Y554 HydrophobicContact CB-CD1 4.23Å; L163-Y554 HydrophobicContact CD1-CD1 4.48Å; L163-N555 WeakPolarHBondContact CD2-O 3.27Å; L163-L556 HydrophobicContact CD2-CB 4.21Å; L163-L556 HydrophobicContact CD2-CD1 3.91Å; L163-F595 HydrophobicContact CB-CE1 4.12Å; L163-F595 HydrophobicContact CD1-CD1 3.29Å; L163-F595 HydrophobicContact CD1-CE1 3.45Å; L163-F595 VanDerWaalsContact CD1-CE1 3.45Å; L163-F595 HydrophobicContact CG-CD1 3.94Å; L163-F595 HydrophobicContact CG-CE1 3.53Å; L163-C596 HydrophobicContact CD1-CB 4.5Å; L163-C596 WeakPolarHBondContact CD1-SG 3.45Å
164	S	55.1	Low	55.5	Low	70 Å²	70	100.7 Å²	100.7	49%	0.49	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	137	171.5	50.2	0	0	0	0	110.6	T166 N555	S164-T166 PolarHBondContact O-N 3.08Å; S164-N555 PolarHBondContact O-N 2.98Å
165	K	58.3	Low	58.7	Low	116 Å²	116	99.2 Å²	99.2	50%	0.504	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	126.1	164.2	-78.8	-178.2	176.7	174	0	108.8	G553 Y554	K165-G553 WeakPolarHBondContact CA-O 3.48Å; K165-Y554 HydrophobicContact CG-CD1 4.36Å; K165-Y554 HydrophobicContact CG-CE1 3.96Å
166	T	59.6	Low	61.9	Low	35 Å²	35	91.2 Å²	91.2	22%	0.215	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-76.5	130.9	-176.6	44.3	0	0	0	0	112.2	S164 L550 G553 N555	S164-T166 PolarHBondContact O-N 3.08Å; T166-L550 HydrophobicContact CG2-CD1 4.02Å; T166-G553 PolarHBondContact N-O 3.08Å; T166-G553 PolarHBondContact OG1-O 3.01Å; T166-N555 HydrophobicContact CG2-CB 3.47Å; T166-N555 VanDerWaalsContact CG2-CB 3.47Å
167	I	58.8	Low	65.2	Low	179 Å²	179	83.9 Å²	83.9	92%	0.918	43%	0.432	S	S	*	.	S	Bend	trans	-86.8	-30.5	169.7	-57.1	172.6	0	0	0	110.8
168	D	77.5	Confident	68.4	Low	76 Å²	76	81.4 Å²	81.4	41%	0.406	43%	0.425	S	S	.	.			trans	-129.8	99.1	-177	-177.6	-1.1	0	0	0	111.2	D170 T171 C172	D168-D170 VanDerWaalsContact C-N 3.33Å; D168-D170 PolarHBondContact OD1-N 3.42Å; D168-T171 PolarHBondContact OD1-N 2.97Å; D168-T171 VanDerWaalsContact OD2-CB 3.26Å; D168-T171 WeakPolarHBondContact OD2-CB 3.16Å; D168-T171 PolarHBondContact OD2-OG1 3.07Å; D168-C172 PolarHBondContact O-SG 3.39Å
169	S	81.1	Confident	71.6	Confident	49 Å²	49	77.3 Å²	77.3	34%	0.343	41%	0.406	S	S	.	.	H	α-helix	trans	-67	-32.4	177.9	56.4	0	0	0	0	113	C172 L173	S169-C172 PolarHBondContact O-N 2.97Å; S169-L173 VanDerWaalsContact O-CB 3.28Å; S169-L173 WeakPolarHBondContact O-CB 3.05Å; S169-L173 PolarHBondContact O-N 3.39Å
170	D	85.7	Confident	74.5	Confident	102 Å²	102	74.9 Å²	74.9	55%	0.545	38%	0.38	S	S	.	.	H	α-helix	trans	-72.5	-41.3	-172.9	-75.4	-20	0	0	0	111	D168 L173 R174	D168-D170 VanDerWaalsContact C-N 3.33Å; D168-D170 PolarHBondContact OD1-N 3.42Å; D170-L173 PolarHBondContact O-N 3.46Å; D170-R174 WeakPolarHBondContact O-CG 3.34Å; D170-R174 PolarHBondContact O-N 3.48Å
171	T	87.7	Confident	77	Confident	83 Å²	83	75.5 Å²	75.5	51%	0.509	39%	0.389	S	S	.	.	H	α-helix	trans	-63.2	-43.5	174.2	-67.1	0	0	0	0	111.3	D168 L173 R174 K175	D168-T171 PolarHBondContact OD1-N 2.97Å; D168-T171 VanDerWaalsContact OD2-CB 3.26Å; D168-T171 WeakPolarHBondContact OD2-CB 3.16Å; D168-T171 PolarHBondContact OD2-OG1 3.07Å; T171-L173 VanDerWaalsContact C-N 3.33Å; T171-L173 PolarHBondContact O-N 3.15Å; T171-R174 PolarHBondContact O-N 3.39Å; T171-K175 PolarHBondContact O-N 2.92Å
172	C	87.6	Confident	78.9	Confident	18 Å²	18	80.3 Å²	80.3	12%	0.122	42%	0.416	C	S	.	.	H	α-helix	trans	-62.9	-42	176.7	-63.1	0	0	0	0	111.3	D168 S169 R174 K175 I176 L550	D168-C172 PolarHBondContact O-SG 3.39Å; S169-C172 PolarHBondContact O-N 2.97Å; C172-R174 PolarHBondContact O-N 2.85Å; C172-K175 WeakPolarHBondContact O-CB 3.14Å; C172-K175 PolarHBondContact O-N 3.39Å; C172-I176 WeakPolarHBondContact O-CG1 3.44Å; C172-I176 PolarHBondContact O-N 2.78Å; C172-L550 HydrophobicContact CB-CD1 3.67Å; C172-L550 HydrophobicContact CB-CD2 4.07Å
173	L	90.3	Very high	81.1	Confident	4 Å²	4	74.4 Å²	74.4	2%	0.021	39%	0.393	C	S	.	.	H	α-helix	trans	-65.4	-39.1	-178.6	-163.1	138.8	0	0	0	112.4	S169 D170 T171 I176 V177 I185 F186 F189 L550	S169-L173 VanDerWaalsContact O-CB 3.28Å; S169-L173 WeakPolarHBondContact O-CB 3.05Å; S169-L173 PolarHBondContact O-N 3.39Å; D170-L173 PolarHBondContact O-N 3.46Å; T171-L173 VanDerWaalsContact C-N 3.33Å; T171-L173 PolarHBondContact O-N 3.15Å; L173-I176 PolarHBondContact O-N 2.67Å; L173-V177 HydrophobicContact CD2-CG2 4.43Å; L173-V177 VanDerWaalsContact O-CG2 3.29Å; L173-V177 WeakPolarHBondContact O-CG2 3.29Å; L173-V177 PolarHBondContact O-N 3.5Å; L173-V177 VanDerWaalsContact O-N 3.11Å; L173-I185 HydrophobicContact CD2-CG2 4.18Å; L173-I185 HydrophobicContact CG-CG2 4.02Å; L173-F186 HydrophobicContact CD2-CD1 3.21Å; L173-F186 HydrophobicContact CD2-CD2 4.23Å; L173-F186 HydrophobicContact CD2-CE1 3Å; L173-F186 HydrophobicContact CD2-CE2 4.06Å; L173-F186 HydrophobicContact CD2-CG 3.84Å; L173-F186 HydrophobicContact CD2-CZ 3.46Å; L173-F186 VanDerWaalsContact CD2-CZ 3.46Å; L173-F186 HydrophobicContact CG-CE1 4.49Å; L173-F189 HydrophobicContact CD1-CB 3.72Å; L173-F189 HydrophobicContact CD1-CD1 3.25Å; L173-F189 HydrophobicContact CD1-CD2 3.86Å; L173-F189 HydrophobicContact CD1-CE1 3.65Å; L173-F189 HydrophobicContact CD1-CE2 4.23Å; L173-F189 HydrophobicContact CD1-CG 3.34Å; L173-F189 HydrophobicContact CD1-CZ 4.13Å; L173-L550 HydrophobicContact CB-CD2 3.83Å; L173-L550 HydrophobicContact CD1-CD2 4.15Å; L173-L550 HydrophobicContact CG-CD2 4.31Å
174	R	90.9	Very high	82.8	Confident	168 Å²	168	75.8 Å²	75.8	63%	0.634	40%	0.402	S	S	*	.	H	α-helix	trans	-61	-43.6	172	-70.2	179.6	-168.9	-179.7	5.6	112	D170 T171 C172 I176 V177 D178	D170-R174 WeakPolarHBondContact O-CG 3.34Å; D170-R174 PolarHBondContact O-N 3.48Å; T171-R174 PolarHBondContact O-N 3.39Å; C172-R174 PolarHBondContact O-N 2.85Å; R174-I176 VanDerWaalsContact C-N 3.32Å; R174-I176 PolarHBondContact O-N 3.49Å; R174-V177 WeakPolarHBondContact O-CB 2.99Å; R174-V177 PolarHBondContact O-N 2.94Å; R174-V177 VanDerWaalsContact O-N 3.11Å; R174-D178 PolarHBondContact O-N 3.23Å
175	K	90.5	Very high	84.5	Confident	106 Å²	106	72.5 Å²	72.5	46%	0.461	38%	0.379	S	S	.	.	H	α-helix	trans	-59.6	-41.7	176.2	-173.4	180	179.1	-179.1	0	112.2	T171 C172 V177 D178 D179	T171-K175 PolarHBondContact O-N 2.92Å; C172-K175 WeakPolarHBondContact O-CB 3.14Å; C172-K175 PolarHBondContact O-N 3.39Å; K175-V177 VanDerWaalsContact C-N 3.3Å; K175-V177 PolarHBondContact O-N 3.27Å; K175-D178 PolarHBondContact O-N 3.14Å; K175-D179 PolarHBondContact O-N 3.32Å
176	I	92.3	Very high	86.1	Confident	1 Å²	1	72.2 Å²	72.2	1%	0.005	38%	0.378	C	S	.	.	H	α-helix	trans	-65.3	-36.1	177.6	-57	166.9	0	0	0	110.9	C172 L173 R174 D179 H180 I185 R546 V547 L550	C172-I176 WeakPolarHBondContact O-CG1 3.44Å; C172-I176 PolarHBondContact O-N 2.78Å; L173-I176 PolarHBondContact O-N 2.67Å; R174-I176 VanDerWaalsContact C-N 3.32Å; R174-I176 PolarHBondContact O-N 3.49Å; I176-D179 PolarHBondContact O-N 3.29Å; I176-H180 PolarHBondContact O-N 2.91Å; I176-I185 HydrophobicContact CB-CG2 4.43Å; I176-I185 HydrophobicContact CG2-CD1 3.45Å; I176-I185 VanDerWaalsContact CG2-CD1 3.45Å; I176-I185 HydrophobicContact CG2-CG1 4.14Å; I176-I185 HydrophobicContact CG2-CG2 4.33Å; I176-R546 HydrophobicContact CD1-CB 4.18Å; I176-R546 HydrophobicContact CG2-CB 4.37Å; I176-V547 HydrophobicContact CG2-CG2 4.24Å; I176-L550 HydrophobicContact CD1-CB 4.41Å; I176-L550 HydrophobicContact CD1-CD2 3.82Å
177	V	93.1	Very high	87.5	Confident	39 Å²	39	76.3 Å²	76.3	24%	0.236	40%	0.395	C	S	.	.	H	α-helix	trans	-63.5	-43.9	174.5	173.9	0	0	0	0	111.1	L173 R174 K175 D179 H180 P181 I185 F186	L173-V177 HydrophobicContact CD2-CG2 4.43Å; L173-V177 VanDerWaalsContact O-CG2 3.29Å; L173-V177 WeakPolarHBondContact O-CG2 3.29Å; L173-V177 PolarHBondContact O-N 3.5Å; L173-V177 VanDerWaalsContact O-N 3.11Å; R174-V177 WeakPolarHBondContact O-CB 2.99Å; R174-V177 PolarHBondContact O-N 2.94Å; R174-V177 VanDerWaalsContact O-N 3.11Å; K175-V177 VanDerWaalsContact C-N 3.3Å; K175-V177 PolarHBondContact O-N 3.27Å; V177-D179 VanDerWaalsContact C-N 3.35Å; V177-H180 CarbonylContact O-C 3.54Å; V177-H180 VanDerWaalsContact O-C 3.31Å; V177-H180 PolarHBondContact O-N 3.01Å; V177-P181 WeakPolarHBondContact O-CA 3.41Å; V177-I185 HydrophobicContact CG2-CB 3.74Å; V177-I185 HydrophobicContact CG2-CG1 4.15Å; V177-I185 HydrophobicContact CG2-CG2 3.76Å; V177-F186 HydrophobicContact CB-CE2 4.47Å; V177-F186 HydrophobicContact CG1-CE2 4.43Å; V177-F186 HydrophobicContact CG2-CD2 3.87Å; V177-F186 HydrophobicContact CG2-CE2 3.45Å; V177-F186 VanDerWaalsContact CG2-CE2 3.45Å; V177-F186 HydrophobicContact CG2-CZ 4.14Å
178	D	92.7	Very high	88.9	Confident	128 Å²	128	67.9 Å²	67.9	68%	0.684	35%	0.352	S	S	*	.	H	α-helix	trans	-64.3	-39.7	178.1	-64.4	-24.6	0	0	0	111.7	R174 K175	R174-D178 PolarHBondContact O-N 3.23Å; K175-D178 PolarHBondContact O-N 3.14Å
179	D	91.7	Very high	89.5	Confident	69 Å²	69	65 Å²	65	37%	0.369	34%	0.336	S	S	.	.	H	α-helix	trans	-71	-30	177.6	-65	-27.5	0	0	0	112.9	K175 I176 V177 R546 V558	K175-D179 PolarHBondContact O-N 3.32Å; I176-D179 PolarHBondContact O-N 3.29Å; V177-D179 VanDerWaalsContact C-N 3.35Å; D179-R546 VanDerWaalsContact CB-NH1 3.32Å; D179-R546 IonicContact OD2-CZ 3.94Å; D179-R546 VanDerWaalsContact OD2-CZ 3.23Å; D179-R546 IonicContact OD2-NH1 3.37Å; D179-R546 PolarHBondContact OD2-NH1 3.38Å; D179-R546 IonicContact OD2-NH2 2.72Å; D179-R546 PolarHBondContact OD2-NH2 3.04Å; D179-V558 HydrophobicContact CB-CG2 4.31Å
180	H	91.8	Very high	89.8	Confident	33 Å²	33	68.4 Å²	68.4	15%	0.153	35%	0.346	C	S	.	.			trans	-136.7	67.5	-173.1	-57.2	-68.4	0	0	0	112.8	I176 V177 N182 F183 P543 R546	I176-H180 PolarHBondContact O-N 2.91Å; V177-H180 CarbonylContact O-C 3.54Å; V177-H180 VanDerWaalsContact O-C 3.31Å; V177-H180 PolarHBondContact O-N 3.01Å; H180-N182 PolarHBondContact O-N 3.31Å; H180-N182 VanDerWaalsContact O-N 3.15Å; H180-F183 HydrophobicContact CB-CB 4.34Å; H180-F183 PolarHBondContact O-N 3.24Å; H180-F183 VanDerWaalsContact O-N 3.16Å; H180-P543 HydrophobicContact CB-CB 3.89Å; H180-P543 HydrophobicContact CB-CG 4.29Å; H180-R546 PolarHBondContact CD2-NH1 3.37Å; H180-R546 PolarHBondContact NE2-NH1 3.08Å
181	P	88	Confident	89.7	Confident	98 Å²	98	66.9 Å²	66.9	64%	0.636	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-22.6	-171.8	25.6	-35.9	0	0	0	114.4	V177 F183	V177-P181 WeakPolarHBondContact O-CA 3.41Å; P181-F183 VanDerWaalsContact C-N 3.33Å
182	N	86.9	Confident	89.7	Confident	161 Å²	161	63.6 Å²	63.6	86%	0.861	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-2.3	-178.9	-65.1	-29.5	0	0	0	113.6	H180	H180-N182 PolarHBondContact O-N 3.31Å; H180-N182 VanDerWaalsContact O-N 3.15Å
183	F	90.1	Very high	89.5	Confident	15 Å²	15	66.7 Å²	66.7	7%	0.066	33%	0.326	C	S	.	.	S	Bend	trans	-104.5	137.1	-179.7	-167.9	-81.7	0	0	0	110.5	H180 P181 I185 C188 L228 I317 L540 P543 Y544	H180-F183 HydrophobicContact CB-CB 4.34Å; H180-F183 PolarHBondContact O-N 3.24Å; H180-F183 VanDerWaalsContact O-N 3.16Å; P181-F183 VanDerWaalsContact C-N 3.33Å; F183-I185 HydrophobicContact CB-CD1 4.24Å; F183-I185 HydrophobicContact CB-CG1 4.43Å; F183-I185 HydrophobicContact CD1-CD1 3.43Å; F183-I185 VanDerWaalsContact CD1-CD1 3.43Å; F183-I185 HydrophobicContact CD1-CG1 4.01Å; F183-I185 HydrophobicContact CE1-CD1 4.1Å; F183-I185 HydrophobicContact CG-CD1 4.16Å; F183-I185 PolarHBondContact O-N 3.33Å; F183-C188 HydrophobicContact CE1-CB 3.99Å; F183-L228 HydrophobicContact CE2-CD1 3.92Å; F183-L228 HydrophobicContact CZ-CD1 4.19Å; F183-I317 HydrophobicContact CD2-CG2 4.29Å; F183-I317 HydrophobicContact CE1-CG2 4.41Å; F183-I317 HydrophobicContact CE2-CG2 3.63Å; F183-I317 HydrophobicContact CZ-CG2 3.71Å; F183-L540 HydrophobicContact CD2-CD2 4.02Å; F183-L540 HydrophobicContact CE2-CD2 4.23Å; F183-L540 WeakPolarHBondContact CE2-O 3.47Å; F183-P543 HydrophobicContact CB-CB 4Å; F183-P543 HydrophobicContact CB-CG 3.95Å; F183-P543 HydrophobicContact CD1-CB 3.97Å; F183-P543 HydrophobicContact CD1-CG 4.36Å; F183-P543 HydrophobicContact CD2-CB 3.96Å; F183-P543 HydrophobicContact CD2-CG 3.43Å; F183-P543 VanDerWaalsContact CD2-CG 3.43Å; F183-P543 HydrophobicContact CE1-CB 4.38Å; F183-P543 HydrophobicContact CE2-CB 4.39Å; F183-P543 HydrophobicContact CE2-CG 3.94Å; F183-P543 HydrophobicContact CG-CB 3.7Å; F183-P543 HydrophobicContact CG-CG 3.66Å; F183-Y544 HydrophobicContact CZ-CD2 4.46Å
184	P	89.7	Confident	88.7	Confident	41 Å²	41	69.8 Å²	69.8	27%	0.266	35%	0.348	S	S	.	.			trans	-77.4	68.1	-178.9	33.1	-36.7	0	0	0	112	E187 C188 I317	P184-E187 HydrophobicContact CB-CB 4.26Å; P184-E187 HydrophobicContact CB-CG 4.39Å; P184-E187 WeakPolarHBondContact CB-OE2 3.49Å; P184-E187 PolarHBondContact O-N 2.86Å; P184-C188 VanDerWaalsContact O-CB 3.27Å; P184-C188 WeakPolarHBondContact O-CB 3.42Å; P184-C188 PolarHBondContact O-N 2.93Å; P184-I317 HydrophobicContact CG-CG2 3.92Å
185	I	91.4	Very high	87.4	Confident	2 Å²	2	65.9 Å²	65.9	1%	0.01	34%	0.336	C	S	.	.	H	α-helix	trans	-57.8	-53	-172.2	-63.9	-67	0	0	0	112.2	L173 I176 V177 F183 E187 C188 F189 P543 V547	L173-I185 HydrophobicContact CD2-CG2 4.18Å; L173-I185 HydrophobicContact CG-CG2 4.02Å; I176-I185 HydrophobicContact CB-CG2 4.43Å; I176-I185 HydrophobicContact CG2-CD1 3.45Å; I176-I185 VanDerWaalsContact CG2-CD1 3.45Å; I176-I185 HydrophobicContact CG2-CG1 4.14Å; I176-I185 HydrophobicContact CG2-CG2 4.33Å; V177-I185 HydrophobicContact CG2-CB 3.74Å; V177-I185 HydrophobicContact CG2-CG1 4.15Å; V177-I185 HydrophobicContact CG2-CG2 3.76Å; F183-I185 HydrophobicContact CB-CD1 4.24Å; F183-I185 HydrophobicContact CB-CG1 4.43Å; F183-I185 HydrophobicContact CD1-CD1 3.43Å; F183-I185 VanDerWaalsContact CD1-CD1 3.43Å; F183-I185 HydrophobicContact CD1-CG1 4.01Å; F183-I185 HydrophobicContact CE1-CD1 4.1Å; F183-I185 HydrophobicContact CG-CD1 4.16Å; F183-I185 PolarHBondContact O-N 3.33Å; I185-E187 PolarHBondContact O-N 3.45Å; I185-C188 PolarHBondContact O-N 3.27Å; I185-F189 WeakPolarHBondContact O-CB 3.37Å; I185-F189 PolarHBondContact O-N 3.47Å; I185-P543 HydrophobicContact CD1-CB 3.75Å; I185-V547 HydrophobicContact CB-CG2 4.46Å; I185-V547 HydrophobicContact CD1-CG2 3.51Å; I185-V547 HydrophobicContact CG2-CG2 3.79Å
186	F	90.8	Very high	85.6	Confident	109 Å²	109	64 Å²	64	48%	0.478	33%	0.333	S	S	.	.	H	α-helix	trans	-61.2	-43.9	-178.8	-74.2	-82.1	0	0	0	112.4	L173 V177 C188 F189 Q190	L173-F186 HydrophobicContact CD2-CD1 3.21Å; L173-F186 HydrophobicContact CD2-CD2 4.23Å; L173-F186 HydrophobicContact CD2-CE1 3Å; L173-F186 HydrophobicContact CD2-CE2 4.06Å; L173-F186 HydrophobicContact CD2-CG 3.84Å; L173-F186 HydrophobicContact CD2-CZ 3.46Å; L173-F186 VanDerWaalsContact CD2-CZ 3.46Å; L173-F186 HydrophobicContact CG-CE1 4.49Å; V177-F186 HydrophobicContact CB-CE2 4.47Å; V177-F186 HydrophobicContact CG1-CE2 4.43Å; V177-F186 HydrophobicContact CG2-CD2 3.87Å; V177-F186 HydrophobicContact CG2-CE2 3.45Å; V177-F186 VanDerWaalsContact CG2-CE2 3.45Å; V177-F186 HydrophobicContact CG2-CZ 4.14Å; F186-C188 VanDerWaalsContact C-N 3.33Å; F186-C188 PolarHBondContact O-N 2.95Å; F186-F189 PolarHBondContact O-N 2.9Å; F186-Q190 WeakPolarHBondContact O-CB 3.24Å; F186-Q190 VanDerWaalsContact O-CG 3.26Å; F186-Q190 WeakPolarHBondContact O-CG 3.25Å; F186-Q190 PolarHBondContact O-N 3.45Å
187	E	88.2	Confident	83.3	Confident	121 Å²	121	68.5 Å²	68.5	57%	0.565	36%	0.361	S	S	*	.	H	α-helix	trans	-65.9	-39.5	179.3	-57.8	178.7	166.1	0	0	111.3	P184 I185 K191	P184-E187 HydrophobicContact CB-CB 4.26Å; P184-E187 HydrophobicContact CB-CG 4.39Å; P184-E187 WeakPolarHBondContact CB-OE2 3.49Å; P184-E187 PolarHBondContact O-N 2.86Å; I185-E187 PolarHBondContact O-N 3.45Å; E187-K191 WeakPolarHBondContact O-CB 3.37Å; E187-K191 VanDerWaalsContact O-CG 3.27Å; E187-K191 WeakPolarHBondContact O-CG 3.48Å; E187-K191 PolarHBondContact O-N 2.8Å
188	C	88.2	Confident	80.5	Confident	3 Å²	3	70.1 Å²	70.1	2%	0.02	39%	0.386	C	S	.	.	H	α-helix	trans	-63.2	-48	176	-173.1	0	0	0	0	111	F183 P184 I185 F186 K191 F192 V547	F183-C188 HydrophobicContact CE1-CB 3.99Å; P184-C188 VanDerWaalsContact O-CB 3.27Å; P184-C188 WeakPolarHBondContact O-CB 3.42Å; P184-C188 PolarHBondContact O-N 2.93Å; I185-C188 PolarHBondContact O-N 3.27Å; F186-C188 VanDerWaalsContact C-N 3.33Å; F186-C188 PolarHBondContact O-N 2.95Å; C188-K191 WeakPolarHBondContact O-CB 3.43Å; C188-K191 PolarHBondContact O-N 3.27Å; C188-F192 WeakPolarHBondContact O-CG 3.29Å; C188-F192 PolarHBondContact O-N 2.98Å; C188-F192 VanDerWaalsContact O-N 3.12Å; C188-F192 VanDerWaalsContact SG-CZ 3.58Å; C188-V547 HydrophobicContact CB-CG1 4.38Å
189	F	90.2	Very high	77.5	Confident	16 Å²	16	69.2 Å²	69.2	7%	0.07	39%	0.388	C	S	.	.	H	α-helix	trans	-63.5	-45.6	178.7	-170.6	-111.4	0	0	0	112.6	L173 I185 F186 K191 F192 Q193 V547 L550 N551	L173-F189 HydrophobicContact CD1-CB 3.72Å; L173-F189 HydrophobicContact CD1-CD1 3.25Å; L173-F189 HydrophobicContact CD1-CD2 3.86Å; L173-F189 HydrophobicContact CD1-CE1 3.65Å; L173-F189 HydrophobicContact CD1-CE2 4.23Å; L173-F189 HydrophobicContact CD1-CG 3.34Å; L173-F189 HydrophobicContact CD1-CZ 4.13Å; I185-F189 WeakPolarHBondContact O-CB 3.37Å; I185-F189 PolarHBondContact O-N 3.47Å; F186-F189 PolarHBondContact O-N 2.9Å; F189-K191 VanDerWaalsContact C-N 3.31Å; F189-K191 PolarHBondContact O-N 3.37Å; F189-F192 WeakPolarHBondContact O-CB 3.27Å; F189-F192 PolarHBondContact O-N 2.82Å; F189-F192 VanDerWaalsContact O-N 3.08Å; F189-Q193 HydrophobicContact CD1-CG 4.45Å; F189-Q193 HydrophobicContact CE1-CG 4.32Å; F189-Q193 PolarHBondContact O-N 2.8Å; F189-V547 HydrophobicContact CB-CG1 3.79Å; F189-V547 HydrophobicContact CD2-CG1 3.9Å; F189-V547 HydrophobicContact CG-CG1 4.36Å; F189-L550 HydrophobicContact CE2-CB 4.39Å; F189-L550 HydrophobicContact CE2-CD2 4.28Å; F189-L550 HydrophobicContact CE2-CG 4.05Å; F189-N551 HydrophobicContact CD2-CB 4.15Å; F189-N551 HydrophobicContact CE2-CB 3.88Å
190	Q	87.6	Confident	74.4	Confident	120 Å²	120	71.5 Å²	71.5	56%	0.561	41%	0.405	S	S	*	.	H	α-helix	trans	-60.8	-39.1	176.1	-74.8	176.2	1.9	0	0	112.2	F186 F192 Q193 S194	F186-Q190 WeakPolarHBondContact O-CB 3.24Å; F186-Q190 VanDerWaalsContact O-CG 3.26Å; F186-Q190 WeakPolarHBondContact O-CG 3.25Å; F186-Q190 PolarHBondContact O-N 3.45Å; Q190-F192 VanDerWaalsContact C-N 3.31Å; Q190-F192 PolarHBondContact O-N 2.88Å; Q190-Q193 PolarHBondContact O-N 3.35Å; Q190-S194 PolarHBondContact O-N 2.93Å
191	K	85	Confident	71.5	Confident	69 Å²	69	80.3 Å²	80.3	30%	0.3	44%	0.443	S	S	.	.	H	α-helix	trans	-59.5	-43.9	173.5	-77.8	173.8	-175.5	174.6	0	110.8	E187 C188 F189 Q193 S194 F195 S225	E187-K191 WeakPolarHBondContact O-CB 3.37Å; E187-K191 VanDerWaalsContact O-CG 3.27Å; E187-K191 WeakPolarHBondContact O-CG 3.48Å; E187-K191 PolarHBondContact O-N 2.8Å; C188-K191 WeakPolarHBondContact O-CB 3.43Å; C188-K191 PolarHBondContact O-N 3.27Å; F189-K191 VanDerWaalsContact C-N 3.31Å; F189-K191 PolarHBondContact O-N 3.37Å; K191-Q193 PolarHBondContact O-N 3.12Å; K191-S194 PolarHBondContact O-N 3.47Å; K191-S194 PolarHBondContact O-OG 3.16Å; K191-F195 WeakPolarHBondContact O-CD2 3.34Å; K191-F195 WeakPolarHBondContact O-CE2 3.45Å; K191-S225 PolarHBondContact NZ-O 3.3Å; K191-S225 VanDerWaalsContact NZ-O 3.14Å
192	F	86.8	Confident	68.7	Low	14 Å²	14	79.6 Å²	79.6	6%	0.061	44%	0.44	C	S	.	.	H	α-helix	trans	-62.1	-41.9	177.3	-63.3	-19.1	0	0	0	112.8	C188 F189 Q190 S194 F195 Y219 Y544 V547 L548 N551	C188-F192 WeakPolarHBondContact O-CG 3.29Å; C188-F192 PolarHBondContact O-N 2.98Å; C188-F192 VanDerWaalsContact O-N 3.12Å; C188-F192 VanDerWaalsContact SG-CZ 3.58Å; F189-F192 WeakPolarHBondContact O-CB 3.27Å; F189-F192 PolarHBondContact O-N 2.82Å; F189-F192 VanDerWaalsContact O-N 3.08Å; Q190-F192 VanDerWaalsContact C-N 3.31Å; Q190-F192 PolarHBondContact O-N 2.88Å; F192-S194 VanDerWaalsContact C-N 3.35Å; F192-S194 PolarHBondContact O-N 3.25Å; F192-F195 PolarHBondContact O-N 2.84Å; F192-Y219 HydrophobicContact CB-CE1 4.15Å; F192-Y219 AromaticContact CD1-CD1 3.79Å; F192-Y219 HydrophobicContact CD1-CD1 3.79Å; F192-Y219 AromaticContact CD1-CE1 3.94Å; F192-Y219 HydrophobicContact CD1-CE1 3.94Å; F192-Y219 HydrophobicContact CD2-CD1 4.23Å; F192-Y219 AromaticContact CD2-CE1 3.8Å; F192-Y219 HydrophobicContact CD2-CE1 3.8Å; F192-Y219 AromaticContact CE1-CD1 3.71Å; F192-Y219 HydrophobicContact CE1-CD1 3.71Å; F192-Y219 HydrophobicContact CE1-CE1 4.23Å; F192-Y219 HydrophobicContact CE2-CD1 4.16Å; F192-Y219 HydrophobicContact CE2-CE1 4.1Å; F192-Y219 HydrophobicContact CG-CD1 4.05Å; F192-Y219 AromaticContact CG-CE1 3.72Å; F192-Y219 HydrophobicContact CG-CE1 3.72Å; F192-Y219 AromaticContact CZ-CD1 3.9Å; F192-Y219 HydrophobicContact CZ-CD1 3.9Å; F192-Y219 HydrophobicContact CZ-CE1 4.29Å; F192-Y544 HydrophobicContact CE1-CE2 4.36Å; F192-Y544 HydrophobicContact CZ-CD2 4.26Å; F192-Y544 AromaticContact CZ-CE2 3.66Å; F192-Y544 HydrophobicContact CZ-CE2 3.66Å; F192-V547 HydrophobicContact CD2-CG1 4Å; F192-V547 HydrophobicContact CE2-CB 4.49Å; F192-V547 HydrophobicContact CE2-CG1 3.91Å; F192-L548 HydrophobicContact CE2-CB 4.17Å; F192-N551 HydrophobicContact CB-CB 4.23Å; F192-N551 HydrophobicContact CD2-CB 4.17Å
193	Q	82.9	Confident	65.9	Low	84 Å²	84	84.3 Å²	84.3	39%	0.393	45%	0.446	S	S	.	.	H	α-helix	trans	-66.6	-32.8	175.2	-67.1	-177.2	-25.8	0	0	113.4	F189 Q190 K191 F195 T196 T197	F189-Q193 HydrophobicContact CD1-CG 4.45Å; F189-Q193 HydrophobicContact CE1-CG 4.32Å; F189-Q193 PolarHBondContact O-N 2.8Å; Q190-Q193 PolarHBondContact O-N 3.35Å; K191-Q193 PolarHBondContact O-N 3.12Å; Q193-F195 PolarHBondContact O-N 2.84Å; Q193-T196 PolarHBondContact O-N 3.43Å; Q193-T196 VanDerWaalsContact O-N 3.13Å; Q193-T196 PolarHBondContact O-OG1 3.44Å; Q193-T197 PolarHBondContact O-N 3.07Å; Q193-T197 PolarHBondContact O-OG1 2.89Å
194	S	73.6	Confident	62.9	Low	69 Å²	69	91 Å²	91	48%	0.483	48%	0.477	S	S	.	.	H	α-helix	trans	-63.8	-26.4	177.8	77.5	0	0	0	0	112.7	Q190 K191 F192	Q190-S194 PolarHBondContact O-N 2.93Å; K191-S194 PolarHBondContact O-N 3.47Å; K191-S194 PolarHBondContact O-OG 3.16Å; F192-S194 VanDerWaalsContact C-N 3.35Å; F192-S194 PolarHBondContact O-N 3.25Å
195	F	63.3	Low	59.9	Low	85 Å²	85	96.7 Å²	96.7	37%	0.373	50%	0.504	S	S	.	.	H	α-helix	trans	-74.5	-25.8	176.2	-62.4	-55.8	0	0	0	112.8	K191 F192 Q193 N210	K191-F195 WeakPolarHBondContact O-CD2 3.34Å; K191-F195 WeakPolarHBondContact O-CE2 3.45Å; F192-F195 PolarHBondContact O-N 2.84Å; Q193-F195 PolarHBondContact O-N 2.84Å; F195-N210 PolarHBondContact O-ND2 3.42Å
196	T	53.8	Low	57	Low	66 Å²	66	102.2 Å²	102.2	41%	0.405	54%	0.54	S	S	.	.	H	α-helix	trans	-86.2	-30.6	-177	60.7	0	0	0	0	113.2	Q193 G198	Q193-T196 PolarHBondContact O-N 3.43Å; Q193-T196 VanDerWaalsContact O-N 3.13Å; Q193-T196 PolarHBondContact O-OG1 3.44Å; T196-G198 VanDerWaalsContact C-N 3.35Å; T196-G198 PolarHBondContact O-N 3.35Å
197	T	42.8	Very low	54	Low	96 Å²	96	101.2 Å²	101.2	59%	0.589	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-7.4	-172.2	52.3	0	0	0	0	115.4	Q193 C199	Q193-T197 PolarHBondContact O-N 3.07Å; Q193-T197 PolarHBondContact O-OG1 2.89Å; T197-C199 PolarHBondContact O-N 3.36Å
198	G	36	Very low	51.5	Low	74 Å²	74	98.4 Å²	98.4	76%	0.763	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-1	-173.8	0	0	0	0	0	117.4	T196	T196-G198 VanDerWaalsContact C-N 3.35Å; T196-G198 PolarHBondContact O-N 3.35Å
199	C	28.7	Very low	49.5	Very low	108 Å²	108	101 Å²	101	73%	0.73	56%	0.562	S	S	*	*			trans	-133.5	61.4	-177.5	-157.4	0	0	0	0	113.1	T197	T197-C199 PolarHBondContact O-N 3.36Å
200	T	27.9	Very low	47.8	Very low	117 Å²	117	103.6 Å²	103.6	72%	0.718	58%	0.577	S	S	*	*			trans	-136.1	96.1	166.6	52.8	0	0	0	0	110
201	K	29.9	Very low	46.5	Very low	218 Å²	218	106 Å²	106	95%	0.948	59%	0.588	S	S	*	*	S	Bend	trans	176.3	9.5	152	-98	164.5	-167.1	-173.6	0	115.8
202	S	28.5	Very low	45.7	Very low	83 Å²	83	106.7 Å²	106.7	58%	0.58	60%	0.601	S	S	*	*			trans	-119.3	112.5	173.4	177.9	0	0	0	0	110	Q204	S202-Q204 PolarHBondContact O-N 3.26Å
203	R	28.7	Very low	45.3	Very low	260 Å²	260	109.6 Å²	109.6	98%	0.981	62%	0.617	S	S	*	*			trans	-65.6	78.5	164.7	-97.4	-179.4	171.5	172.9	-2.8	108.2
204	Q	26.8	Very low	45.4	Very low	156 Å²	156	110.2 Å²	110.2	73%	0.729	62%	0.623	S	S	*	*	S	Bend	trans	-139.2	140.5	167.3	-70.7	-174.4	-9.8	0	0	108	S202	S202-Q204 PolarHBondContact O-N 3.26Å
205	I	27.4	Very low	46.2	Very low	161 Å²	161	107.7 Å²	107.7	83%	0.826	60%	0.603	S	S	*	*			trans	-34.2	130.5	-172.4	-60.1	157	0	0	0	111.8	S207	I205-S207 PolarHBondContact O-N 2.85Å
206	P	29.9	Very low	47.4	Very low	117 Å²	117	105 Å²	105	76%	0.76	59%	0.593	S	S	*	*			trans	-63.5	98	-168.1	25.2	-32.7	0	0	0	110.6	A208	P206-A208 PolarHBondContact O-N 2.88Å; P206-A208 VanDerWaalsContact O-N 3.14Å
207	S	28.7	Very low	48.9	Very low	88 Å²	88	106.2 Å²	106.2	62%	0.615	60%	0.597	S	S	*	*			trans	-61.9	112.1	158.2	53.3	0	0	0	0	106.5	I205 S209	I205-S207 PolarHBondContact O-N 2.85Å; S207-S209 PolarHBondContact O-N 2.86Å; S207-S209 VanDerWaalsContact O-N 3.15Å
208	A	35.9	Very low	51	Low	62 Å²	62	103.5 Å²	103.5	51%	0.512	58%	0.577	S	S	.	*			trans	8.2	92.8	171	0	0	0	0	0	112.9	P206	P206-A208 PolarHBondContact O-N 2.88Å; P206-A208 VanDerWaalsContact O-N 3.14Å
209	S	45.5	Very low	53.6	Low	58 Å²	58	100.5 Å²	100.5	41%	0.406	54%	0.543	S	S	.	.			trans	-52.7	148.8	173.8	49.5	0	0	0	0	108.5	S207 E211 S212	S207-S209 PolarHBondContact O-N 2.86Å; S207-S209 VanDerWaalsContact O-N 3.15Å; S209-E211 PolarHBondContact O-N 3.25Å; S209-E211 PolarHBondContact OG-OE2 3.34Å; S209-E211 VanDerWaalsContact OG-OE2 3.06Å; S209-S212 PolarHBondContact O-N 2.76Å; S209-S212 PolarHBondContact O-OG 3.4Å
210	N	53.5	Low	56.5	Low	71 Å²	71	99.9 Å²	99.9	38%	0.38	53%	0.531	S	S	.	.	G	3₁₀ helix	trans	-52.7	-13.8	177	-80	-19.4	0	0	0	113.6	F195 S212 L213	F195-N210 PolarHBondContact O-ND2 3.42Å; N210-S212 VanDerWaalsContact C-N 3.26Å; N210-S212 PolarHBondContact O-N 3.44Å; N210-L213 PolarHBondContact O-N 3.3Å
211	E	60.2	Low	59.3	Low	169 Å²	169	95.7 Å²	95.7	79%	0.79	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-62.2	-26.2	172.3	-65.2	168.9	155.3	0	0	113.6	S209	S209-E211 PolarHBondContact O-N 3.25Å; S209-E211 PolarHBondContact OG-OE2 3.34Å; S209-E211 VanDerWaalsContact OG-OE2 3.06Å
212	S	69.2	Low	61.8	Low	84 Å²	84	86.8 Å²	86.8	59%	0.587	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-88.4	-0.8	-178.4	78.9	0	0	0	0	114.4	S209 N210	S209-S212 PolarHBondContact O-N 2.76Å; S209-S212 PolarHBondContact O-OG 3.4Å; N210-S212 VanDerWaalsContact C-N 3.26Å; N210-S212 PolarHBondContact O-N 3.44Å
213	L	79	Confident	64.6	Low	75 Å²	75	83.7 Å²	83.7	39%	0.393	45%	0.449	S	S	.	.	S	Bend	trans	-83.9	143.7	-179.2	-69.6	173.1	0	0	0	110.9	N210 K218	N210-L213 PolarHBondContact O-N 3.3Å; L213-K218 HydrophobicContact CB-CB 4.49Å
214	L	84.6	Confident	67.3	Low	98 Å²	98	71.3 Å²	71.3	51%	0.513	40%	0.402	S	S	.	.			trans	-60.7	143.5	167.6	-66.3	175	0	0	0	109.7	V216 D217 K218	L214-V216 PolarHBondContact O-N 3.11Å; L214-D217 PolarHBondContact O-N 3Å; L214-K218 PolarHBondContact O-N 3.22Å
215	W	90.2	Very high	70	Confident	16 Å²	16	64.8 Å²	64.8	6%	0.061	37%	0.374	C	S	.	.	H	α-helix	trans	-61.9	-35.4	-176.4	-73.3	15	0	0	0	111.7	D217 K218 Y219 L548 E552 I589 L592 Q593 C596	W215-D217 PolarHBondContact O-N 2.87Å; W215-K218 PolarHBondContact O-N 3.46Å; W215-Y219 HydrophobicContact CB-CD2 4Å; W215-Y219 HydrophobicContact CB-CE2 4.22Å; W215-Y219 HydrophobicContact CD2-CE2 4.39Å; W215-Y219 HydrophobicContact CG-CD2 4.46Å; W215-Y219 HydrophobicContact CG-CE2 4.18Å; W215-Y219 WeakPolarHBondContact O-CB 3.19Å; W215-Y219 WeakPolarHBondContact O-CD2 3.37Å; W215-Y219 PolarHBondContact O-N 3.03Å; W215-L548 HydrophobicContact CD2-CD2 4.24Å; W215-L548 HydrophobicContact CE3-CD2 3.43Å; W215-L548 VanDerWaalsContact CE3-CD2 3.43Å; W215-L548 HydrophobicContact CZ3-CD2 3.66Å; W215-E552 HydrophobicContact CD2-CG 4.09Å; W215-E552 HydrophobicContact CE3-CG 4.32Å; W215-E552 HydrophobicContact CH2-CB 3.58Å; W215-E552 HydrophobicContact CH2-CG 3.53Å; W215-E552 HydrophobicContact CZ2-CB 3.45Å; W215-E552 VanDerWaalsContact CZ2-CB 3.45Å; W215-E552 HydrophobicContact CZ2-CG 3.27Å; W215-E552 HydrophobicContact CZ3-CB 4.46Å; W215-E552 HydrophobicContact CZ3-CG 4.05Å; W215-I589 HydrophobicContact CB-CG2 3.5Å; W215-I589 VanDerWaalsContact CB-CG2 3.5Å; W215-L592 HydrophobicContact CZ3-CB 4.42Å; W215-L592 HydrophobicContact CZ3-CD2 4.22Å; W215-L592 HydrophobicContact CZ3-CG 4Å; W215-Q593 HydrophobicContact CB-CB 4.07Å; W215-Q593 HydrophobicContact CB-CG 4.35Å; W215-Q593 VanDerWaalsContact CD1-CD 3.47Å; W215-Q593 HydrophobicContact CD2-CB 3.5Å; W215-Q593 HydrophobicContact CD2-CG 3.72Å; W215-Q593 HydrophobicContact CE3-CB 3.67Å; W215-Q593 HydrophobicContact CE3-CG 4.36Å; W215-Q593 HydrophobicContact CG-CB 3.7Å; W215-Q593 HydrophobicContact CG-CG 3.69Å; W215-Q593 HydrophobicContact CZ2-CG 4.44Å; W215-Q593 HydrophobicContact CZ3-CB 4.33Å; W215-C596 HydrophobicContact CH2-CB 3.62Å; W215-C596 HydrophobicContact CZ2-CB 4.2Å; W215-C596 HydrophobicContact CZ3-CB 4.48Å
216	V	88	Confident	72.7	Confident	28 Å²	28	58 Å²	58	17%	0.17	34%	0.341	C	S	.	.	H	α-helix	trans	-55.7	-39.3	173.9	165.5	0	0	0	0	112.3	L214 M220 R586 I589 N590	L214-V216 PolarHBondContact O-N 3.11Å; V216-M220 WeakPolarHBondContact O-CB 3.34Å; V216-M220 PolarHBondContact O-N 3.08Å; V216-R586 HydrophobicContact CB-CG 4.36Å; V216-R586 HydrophobicContact CG1-CG 3.65Å; V216-R586 HydrophobicContact CG2-CG 3.7Å; V216-R586 WeakPolarHBondContact CG2-O 3.38Å; V216-I589 HydrophobicContact CG2-CB 3.95Å; V216-I589 HydrophobicContact CG2-CG2 3.82Å; V216-N590 WeakPolarHBondContact CG2-OD1 3.41Å
217	D	85.9	Confident	75.4	Confident	92 Å²	92	52.7 Å²	52.7	49%	0.492	31%	0.306	S	S	.	.	H	α-helix	trans	-80.5	-40.7	178.4	-66.1	-39.9	0	0	0	111.3	L214 W215 Y219 M220	L214-D217 PolarHBondContact O-N 3Å; W215-D217 PolarHBondContact O-N 2.87Å; D217-Y219 VanDerWaalsContact C-N 3.32Å; D217-Y219 PolarHBondContact O-N 3.32Å; D217-M220 WeakPolarHBondContact O-CB 3.33Å; D217-M220 PolarHBondContact O-N 2.9Å
218	K	87.2	Confident	78.1	Confident	39 Å²	39	49.1 Å²	49.1	17%	0.17	28%	0.28	C	S	.	.	H	α-helix	trans	-60.2	-40.4	178.5	-174.8	176.4	176	-179.6	0	112.2	L213 L214 W215 E552	L213-K218 HydrophobicContact CB-CB 4.49Å; L214-K218 PolarHBondContact O-N 3.22Å; W215-K218 PolarHBondContact O-N 3.46Å; K218-E552 WeakPolarHBondContact CD-OE1 3.47Å; K218-E552 WeakPolarHBondContact CE-OE1 3.44Å; K218-E552 IonicContact NZ-OE1 3.39Å; K218-E552 PolarHBondContact NZ-OE1 3.19Å; K218-E552 IonicContact NZ-OE2 2.73Å; K218-E552 PolarHBondContact NZ-OE2 3.3Å
219	Y	90	Very high	80.2	Confident	10 Å²	10	46.4 Å²	46.4	4%	0.039	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	9.8	-179	-63.2	-73	0	0	0	113.6	F192 W215 D217 Y544 L548 N551 E552	F192-Y219 HydrophobicContact CB-CE1 4.15Å; F192-Y219 AromaticContact CD1-CD1 3.79Å; F192-Y219 HydrophobicContact CD1-CD1 3.79Å; F192-Y219 AromaticContact CD1-CE1 3.94Å; F192-Y219 HydrophobicContact CD1-CE1 3.94Å; F192-Y219 HydrophobicContact CD2-CD1 4.23Å; F192-Y219 AromaticContact CD2-CE1 3.8Å; F192-Y219 HydrophobicContact CD2-CE1 3.8Å; F192-Y219 AromaticContact CE1-CD1 3.71Å; F192-Y219 HydrophobicContact CE1-CD1 3.71Å; F192-Y219 HydrophobicContact CE1-CE1 4.23Å; F192-Y219 HydrophobicContact CE2-CD1 4.16Å; F192-Y219 HydrophobicContact CE2-CE1 4.1Å; F192-Y219 HydrophobicContact CG-CD1 4.05Å; F192-Y219 AromaticContact CG-CE1 3.72Å; F192-Y219 HydrophobicContact CG-CE1 3.72Å; F192-Y219 AromaticContact CZ-CD1 3.9Å; F192-Y219 HydrophobicContact CZ-CD1 3.9Å; F192-Y219 HydrophobicContact CZ-CE1 4.29Å; W215-Y219 HydrophobicContact CB-CD2 4Å; W215-Y219 HydrophobicContact CB-CE2 4.22Å; W215-Y219 HydrophobicContact CD2-CE2 4.39Å; W215-Y219 HydrophobicContact CG-CD2 4.46Å; W215-Y219 HydrophobicContact CG-CE2 4.18Å; W215-Y219 WeakPolarHBondContact O-CB 3.19Å; W215-Y219 WeakPolarHBondContact O-CD2 3.37Å; W215-Y219 PolarHBondContact O-N 3.03Å; D217-Y219 VanDerWaalsContact C-N 3.32Å; D217-Y219 PolarHBondContact O-N 3.32Å; Y219-Y544 PolarHBondContact O-OH 3.1Å; Y219-L548 HydrophobicContact CD1-CD1 4.09Å; Y219-L548 HydrophobicContact CD1-CG 3.92Å; Y219-L548 HydrophobicContact CD2-CD1 3.58Å; Y219-L548 HydrophobicContact CD2-CD2 3.8Å; Y219-L548 HydrophobicContact CD2-CG 3.59Å; Y219-L548 HydrophobicContact CE1-CG 3.88Å; Y219-L548 HydrophobicContact CE2-CD1 4.1Å; Y219-L548 HydrophobicContact CE2-CD2 3.48Å; Y219-L548 VanDerWaalsContact CE2-CD2 3.48Å; Y219-L548 HydrophobicContact CE2-CG 3.55Å; Y219-L548 HydrophobicContact CG-CD1 3.59Å; Y219-L548 HydrophobicContact CG-CD2 4.5Å; Y219-L548 HydrophobicContact CG-CG 3.79Å; Y219-N551 PolarHBondContact OH-ND2 3.39Å; Y219-E552 HydrophobicContact CE2-CG 4.23Å; Y219-E552 WeakPolarHBondContact CE2-OE1 3.34Å; Y219-E552 VanDerWaalsContact OH-CG 3.31Å; Y219-E552 WeakPolarHBondContact OH-CG 3.31Å; Y219-E552 PolarHBondContact OH-OE1 2.76Å
220	M	88.8	Confident	81.5	Confident	96 Å²	96	46 Å²	46	47%	0.473	25%	0.252	S	S	.	.	S	Bend	trans	-60.4	128.8	173.8	-173.2	172.9	61.4	0	0	109.8	V216 D217 S222 A374	V216-M220 WeakPolarHBondContact O-CB 3.34Å; V216-M220 PolarHBondContact O-N 3.08Å; D217-M220 WeakPolarHBondContact O-CB 3.33Å; D217-M220 PolarHBondContact O-N 2.9Å; M220-S222 PolarHBondContact O-N 3.24Å; M220-S222 VanDerWaalsContact O-N 3.16Å; M220-A374 HydrophobicContact CG-CB 4.38Å
221	P	87.9	Confident	82.7	Confident	28 Å²	28	43.1 Å²	43.1	18%	0.182	24%	0.237	C	C	.	.			trans	-63.1	122.4	-175.7	23.7	-33.3	0	0	0	110.6	S226 F227 A374	P221-S226 WeakPolarHBondContact CA-OG 3.27Å; P221-S226 WeakPolarHBondContact CB-OG 3.4Å; P221-F227 HydrophobicContact CB-CD2 4.24Å; P221-F227 HydrophobicContact CG-CD2 3.74Å; P221-F227 HydrophobicContact CG-CE2 4.29Å; P221-A374 HydrophobicContact CG-CB 3.97Å
222	S	82.1	Confident	83.6	Confident	32 Å²	32	39.1 Å²	39.1	22%	0.224	23%	0.225	C	C	.	.	S	Bend	trans	-97.5	-2.2	-176.4	84.1	0	0	0	0	113.4	M220 S226 K381	M220-S222 PolarHBondContact O-N 3.24Å; M220-S222 VanDerWaalsContact O-N 3.16Å; S222-S226 PolarHBondContact N-OG 3.33Å; S222-K381 VanDerWaalsContact CB-NZ 3.35Å; S222-K381 VanDerWaalsContact O-CD 3.29Å; S222-K381 WeakPolarHBondContact O-CD 3.46Å; S222-K381 WeakPolarHBondContact O-CE 3.26Å; S222-K381 PolarHBondContact O-NZ 2.87Å; S222-K381 PolarHBondContact OG-NZ 3.36Å
223	S	86.3	Confident	84	Confident	17 Å²	17	35.9 Å²	35.9	12%	0.119	20%	0.203	C	C	.	.	S	Bend	trans	-150.6	156.9	174.7	178.7	0	0	0	0	109.6	S225 S226 D382	S223-S225 PolarHBondContact O-N 3.5Å; S223-S225 PolarHBondContact OG-N 3.24Å; S223-S225 PolarHBondContact OG-OG 3.05Å; S223-S226 PolarHBondContact N-OG 2.82Å; S223-S226 PolarHBondContact O-N 2.7Å; S223-S226 PolarHBondContact O-OG 3.29Å; S223-D382 WeakPolarHBondContact CA-OD1 3.24Å; S223-D382 WeakPolarHBondContact CB-OD1 3.47Å; S223-D382 VanDerWaalsContact OG-CG 3.24Å; S223-D382 PolarHBondContact OG-OD1 3.36Å; S223-D382 PolarHBondContact OG-OD2 2.92Å; S223-D382 VanDerWaalsContact OG-OD2 3.05Å
224	C	85.9	Confident	84.4	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.007	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-57.1	-32.6	174.3	-171.5	0	0	0	0	111.4	S226 F227 P316 L379 D382	C224-S226 PolarHBondContact O-N 2.79Å; C224-F227 VanDerWaalsContact O-CB 3.23Å; C224-F227 WeakPolarHBondContact O-CB 3.49Å; C224-F227 PolarHBondContact O-N 3.31Å; C224-F227 VanDerWaalsContact O-N 3.07Å; C224-P316 VanDerWaalsContact O-CA 3.31Å; C224-P316 WeakPolarHBondContact O-CA 3.29Å; C224-L379 HydrophobicContact CB-CD2 3.85Å; C224-D382 WeakPolarHBondContact CB-OD2 3.42Å; C224-D382 PolarHBondContact N-OD2 3.35Å
225	S	83.3	Confident	84.5	Confident	19 Å²	19	28.5 Å²	28.5	13%	0.133	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-70.9	-11	176.6	59	0	0	0	0	116.3	K191 S223 N314 L315 I317	K191-S225 PolarHBondContact NZ-O 3.3Å; K191-S225 VanDerWaalsContact NZ-O 3.14Å; S223-S225 PolarHBondContact O-N 3.5Å; S223-S225 PolarHBondContact OG-N 3.24Å; S223-S225 PolarHBondContact OG-OG 3.05Å; S225-N314 PolarHBondContact N-O 3.12Å; S225-L315 VanDerWaalsContact CA-O 3.28Å; S225-L315 WeakPolarHBondContact CA-O 3.46Å; S225-I317 WeakPolarHBondContact O-CG1 3.48Å
226	S	83.9	Confident	84.4	Confident	19 Å²	19	34.2 Å²	34.2	13%	0.133	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-99.8	-2.5	171.7	52.6	0	0	0	0	112.3	P221 S222 S223 C224 L228	P221-S226 WeakPolarHBondContact CA-OG 3.27Å; P221-S226 WeakPolarHBondContact CB-OG 3.4Å; S222-S226 PolarHBondContact N-OG 3.33Å; S223-S226 PolarHBondContact N-OG 2.82Å; S223-S226 PolarHBondContact O-N 2.7Å; S223-S226 PolarHBondContact O-OG 3.29Å; C224-S226 PolarHBondContact O-N 2.79Å; S226-L228 PolarHBondContact O-N 2.74Å
227	F	86.6	Confident	84.5	Confident	5 Å²	5	32.9 Å²	32.9	2%	0.022	18%	0.181	C	C	.	.			trans	-74.1	129.1	-175.9	-163.4	-99.9	0	0	0	110.7	P221 C224 N229 I234 P316 I317 G371 A374 L375 F533	P221-F227 HydrophobicContact CB-CD2 4.24Å; P221-F227 HydrophobicContact CG-CD2 3.74Å; P221-F227 HydrophobicContact CG-CE2 4.29Å; C224-F227 VanDerWaalsContact O-CB 3.23Å; C224-F227 WeakPolarHBondContact O-CB 3.49Å; C224-F227 PolarHBondContact O-N 3.31Å; C224-F227 VanDerWaalsContact O-N 3.07Å; F227-N229 HydrophobicContact CD1-CB 3.87Å; F227-N229 HydrophobicContact CE1-CB 3.51Å; F227-N229 PolarHBondContact O-N 3.46Å; F227-I234 HydrophobicContact CD1-CD1 3.71Å; F227-I234 HydrophobicContact CE1-CD1 3.78Å; F227-P316 HydrophobicContact CB-CB 4.37Å; F227-P316 WeakPolarHBondContact O-CB 3.3Å; F227-I317 PolarHBondContact O-N 3.41Å; F227-G371 VanDerWaalsContact CE2-O 3.26Å; F227-G371 WeakPolarHBondContact CE2-O 3.21Å; F227-G371 WeakPolarHBondContact CZ-O 3.28Å; F227-A374 HydrophobicContact CE2-CB 4.42Å; F227-L375 HydrophobicContact CB-CD1 4.47Å; F227-L375 HydrophobicContact CD1-CD1 4.14Å; F227-L375 HydrophobicContact CD2-CB 4.07Å; F227-L375 HydrophobicContact CD2-CD1 4.07Å; F227-L375 HydrophobicContact CE1-CB 4.41Å; F227-L375 HydrophobicContact CE1-CD1 4.39Å; F227-L375 HydrophobicContact CE2-CB 3.61Å; F227-L375 HydrophobicContact CE2-CD1 4.37Å; F227-L375 HydrophobicContact CG-CD1 3.96Å; F227-L375 HydrophobicContact CZ-CB 3.79Å; F227-F533 HydrophobicContact CE1-CE1 4.25Å; F227-F533 HydrophobicContact CZ-CE1 4.18Å
228	L	85.7	Confident	84.8	Confident	13 Å²	13	29.1 Å²	29.1	7%	0.068	16%	0.161	C	C	.	.			trans	-96	75.7	-177.4	-168.1	78.9	0	0	0	110.8	F183 S226 I317 A536 L540 V541 Y544 L585	F183-L228 HydrophobicContact CE2-CD1 3.92Å; F183-L228 HydrophobicContact CZ-CD1 4.19Å; S226-L228 PolarHBondContact O-N 2.74Å; L228-I317 HydrophobicContact CD1-CB 4.4Å; L228-I317 HydrophobicContact CD1-CG2 4.29Å; L228-A536 WeakPolarHBondContact O-CB 3.48Å; L228-L540 HydrophobicContact CD1-CB 4.04Å; L228-L540 HydrophobicContact CG-CB 4.36Å; L228-V541 HydrophobicContact CD2-CG2 4.29Å; L228-Y544 HydrophobicContact CD1-CD2 3.84Å; L228-Y544 HydrophobicContact CD1-CG 3.99Å; L228-Y544 HydrophobicContact CD2-CD1 3.75Å; L228-Y544 HydrophobicContact CD2-CD2 4.05Å; L228-Y544 HydrophobicContact CD2-CE1 4.37Å; L228-Y544 HydrophobicContact CD2-CG 3.57Å; L228-Y544 HydrophobicContact CG-CD2 4.39Å; L228-Y544 HydrophobicContact CG-CG 4.35Å; L228-L585 HydrophobicContact CB-CD2 4.4Å; L228-L585 HydrophobicContact CD2-CD1 4.39Å; L228-L585 HydrophobicContact CD2-CD2 3.81Å
229	N	80	Confident	84.9	Confident	4 Å²	4	32.6 Å²	32.6	2%	0.021	18%	0.179	C	C	.	.			trans	-171.5	139.7	170.7	-157.3	-51.5	0	0	0	109.4	F227 C231 I234 P316 T534	F227-N229 HydrophobicContact CD1-CB 3.87Å; F227-N229 HydrophobicContact CE1-CB 3.51Å; F227-N229 PolarHBondContact O-N 3.46Å; N229-C231 WeakPolarHBondContact OD1-CB 3.42Å; N229-C231 PolarHBondContact OD1-N 2.89Å; N229-I234 HydrophobicContact CB-CD1 4.22Å; N229-I234 WeakPolarHBondContact O-CD1 3.42Å; N229-P316 VanDerWaalsContact O-CB 3.31Å; N229-P316 WeakPolarHBondContact O-CB 3.4Å; N229-T534 PolarHBondContact ND2-O 2.86Å
230	T	72.5	Confident	85	Confident	50 Å²	50	32.8 Å²	32.8	31%	0.307	18%	0.18	S	C	.	.			trans	-98.3	10.3	179.6	50	0	0	0	0	113.9	P232 G318 L540	T230-P232 WeakPolarHBondContact O-CD 3.11Å; T230-P232 VanDerWaalsContact O-N 3.13Å; T230-G318 WeakPolarHBondContact CG2-O 3.39Å; T230-L540 HydrophobicContact CG2-CD1 3.79Å
231	C	78.7	Confident	85.1	Confident	11 Å²	11	28.2 Å²	28.2	7%	0.074	16%	0.157	C	C	.	.			trans	-51.2	119.1	-178.2	-171.5	0	0	0	0	112.2	N229 S233 I234 H532	N229-C231 WeakPolarHBondContact OD1-CB 3.42Å; N229-C231 PolarHBondContact OD1-N 2.89Å; C231-S233 PolarHBondContact O-N 3.21Å; C231-S233 WeakPolarHBondContact SG-CB 3.23Å; C231-S233 PolarHBondContact SG-OG 2.9Å; C231-S233 VanDerWaalsContact SG-OG 3.38Å; C231-I234 HydrophobicContact CB-CD1 4.29Å; C231-I234 HydrophobicContact CB-CG1 4.31Å; C231-I234 WeakPolarHBondContact O-CB 3.39Å; C231-I234 VanDerWaalsContact O-CG1 3.3Å; C231-I234 WeakPolarHBondContact O-CG1 3.11Å; C231-I234 PolarHBondContact O-N 3.38Å; C231-H532 PolarHBondContact SG-O 2.83Å
232	P	79.7	Confident	85.2	Confident	84 Å²	84	30.1 Å²	30.1	55%	0.545	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-25.9	-178.4	-27.9	35.1	0	0	0	113.8	T230 I234 I235	T230-P232 WeakPolarHBondContact O-CD 3.11Å; T230-P232 VanDerWaalsContact O-N 3.13Å; P232-I234 PolarHBondContact O-N 3.33Å; P232-I235 PolarHBondContact O-N 3.36Å
233	S	78.8	Confident	85.5	Confident	16 Å²	16	33.5 Å²	33.5	11%	0.112	17%	0.173	C	C	.	.	H	α-helix	trans	-52.5	-31.4	173.3	-63.8	0	0	0	0	114.2	C231 I235 K236 L237 C531	C231-S233 PolarHBondContact O-N 3.21Å; C231-S233 WeakPolarHBondContact SG-CB 3.23Å; C231-S233 PolarHBondContact SG-OG 2.9Å; C231-S233 VanDerWaalsContact SG-OG 3.38Å; S233-I235 VanDerWaalsContact C-N 3.3Å; S233-I235 PolarHBondContact O-N 3.03Å; S233-K236 WeakPolarHBondContact O-CB 3.44Å; S233-K236 PolarHBondContact O-N 2.81Å; S233-L237 PolarHBondContact O-N 3.15Å; S233-C531 WeakPolarHBondContact CB-SG 3.16Å
234	I	86.6	Confident	85.5	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-60.7	-42.9	179.9	-62.8	172.3	0	0	0	110.6	F227 N229 C231 P232 K236 L237 L238 P316 L375 F533	F227-I234 HydrophobicContact CD1-CD1 3.71Å; F227-I234 HydrophobicContact CE1-CD1 3.78Å; N229-I234 HydrophobicContact CB-CD1 4.22Å; N229-I234 WeakPolarHBondContact O-CD1 3.42Å; C231-I234 HydrophobicContact CB-CD1 4.29Å; C231-I234 HydrophobicContact CB-CG1 4.31Å; C231-I234 WeakPolarHBondContact O-CB 3.39Å; C231-I234 VanDerWaalsContact O-CG1 3.3Å; C231-I234 WeakPolarHBondContact O-CG1 3.11Å; C231-I234 PolarHBondContact O-N 3.38Å; P232-I234 PolarHBondContact O-N 3.33Å; I234-K236 VanDerWaalsContact C-N 3.35Å; I234-L237 PolarHBondContact O-N 2.92Å; I234-L238 WeakPolarHBondContact O-CB 3.36Å; I234-L238 PolarHBondContact O-N 3.18Å; I234-P316 HydrophobicContact CD1-CG 4.05Å; I234-P316 HydrophobicContact CG2-CG 3.87Å; I234-L375 HydrophobicContact CB-CD2 4.35Å; I234-L375 HydrophobicContact CG1-CD2 3.79Å; I234-L375 HydrophobicContact CG2-CD1 3.92Å; I234-L375 HydrophobicContact CG2-CD2 4.13Å; I234-F533 HydrophobicContact CG1-CZ 4.25Å
235	I	86.3	Confident	85.4	Confident	17 Å²	17	37.8 Å²	37.8	9%	0.087	19%	0.189	C	C	.	.	H	α-helix	trans	-67.4	-38.9	179.7	-57	-54.7	0	0	0	110.8	P232 S233 L237 L238 M239 L315 Y319	P232-I235 PolarHBondContact O-N 3.36Å; S233-I235 VanDerWaalsContact C-N 3.3Å; S233-I235 PolarHBondContact O-N 3.03Å; I235-L237 VanDerWaalsContact C-N 3.34Å; I235-L237 PolarHBondContact O-N 3.11Å; I235-L238 PolarHBondContact O-N 2.95Å; I235-M239 HydrophobicContact CG2-CE 3.69Å; I235-M239 HydrophobicContact CG2-CG 4.22Å; I235-M239 HydrophobicContact CG2-SD 4.05Å; I235-M239 WeakPolarHBondContact O-CB 3.47Å; I235-M239 VanDerWaalsContact O-CG 3.29Å; I235-M239 WeakPolarHBondContact O-CG 3.39Å; I235-M239 PolarHBondContact O-N 2.67Å; I235-L315 HydrophobicContact CD1-CD2 3.37Å; I235-Y319 HydrophobicContact CD1-CE1 4.5Å; I235-Y319 HydrophobicContact CD1-CE2 4.07Å; I235-Y319 HydrophobicContact CG1-CD2 4.43Å; I235-Y319 HydrophobicContact CG1-CE2 3.59Å
236	K	87.8	Confident	85.4	Confident	136 Å²	136	43.3 Å²	43.3	59%	0.591	21%	0.208	S	C	*	.	H	α-helix	trans	-59.7	-45.1	174.8	-64.3	-179.3	-179.3	174.6	0	111.1	S233 I234 W240 F362	S233-K236 WeakPolarHBondContact O-CB 3.44Å; S233-K236 PolarHBondContact O-N 2.81Å; I234-K236 VanDerWaalsContact C-N 3.35Å; K236-W240 VanDerWaalsContact O-CB 3.24Å; K236-W240 WeakPolarHBondContact O-CB 3.42Å; K236-W240 PolarHBondContact O-N 3.18Å; K236-F362 HydrophobicContact CB-CZ 4.36Å
237	L	91.8	Very high	85.2	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.3	-45.9	176.5	178.6	60.2	0	0	0	111.9	S233 I234 I235 M239 W240 L241 F362 L364 L375 L379 I512	S233-L237 PolarHBondContact O-N 3.15Å; I234-L237 PolarHBondContact O-N 2.92Å; I235-L237 VanDerWaalsContact C-N 3.34Å; I235-L237 PolarHBondContact O-N 3.11Å; L237-M239 PolarHBondContact O-N 2.57Å; L237-W240 HydrophobicContact CD1-CE3 3.95Å; L237-W240 HydrophobicContact CD1-CZ3 4.34Å; L237-W240 PolarHBondContact O-N 3.04Å; L237-L241 HydrophobicContact CD1-CD1 4.25Å; L237-L241 HydrophobicContact CD1-CG 4.22Å; L237-L241 HydrophobicContact CG-CD1 4.3Å; L237-L241 WeakPolarHBondContact O-CG 3.35Å; L237-L241 PolarHBondContact O-N 3.38Å; L237-F362 HydrophobicContact CB-CE1 3.95Å; L237-F362 HydrophobicContact CB-CE2 4.27Å; L237-F362 HydrophobicContact CB-CZ 3.76Å; L237-F362 HydrophobicContact CD1-CB 4.37Å; L237-F362 HydrophobicContact CD1-CD1 3.8Å; L237-F362 HydrophobicContact CD1-CD2 3.91Å; L237-F362 HydrophobicContact CD1-CE1 3.97Å; L237-F362 HydrophobicContact CD1-CE2 4.09Å; L237-F362 HydrophobicContact CD1-CG 3.76Å; L237-F362 HydrophobicContact CD1-CZ 4.12Å; L237-F362 HydrophobicContact CG-CE1 4.44Å; L237-L364 HydrophobicContact CD2-CD1 4.13Å; L237-L364 HydrophobicContact CD2-CD2 4.05Å; L237-L375 HydrophobicContact CD2-CD2 4.14Å; L237-L379 HydrophobicContact CB-CD1 4.42Å; L237-L379 HydrophobicContact CD2-CD1 3.56Å; L237-L379 HydrophobicContact CG-CD1 3.76Å; L237-I512 HydrophobicContact CD1-CD1 4.02Å
238	L	90.9	Very high	84.5	Confident	12 Å²	12	47.4 Å²	47.4	6%	0.063	23%	0.225	C	C	.	.	H	α-helix	trans	-58.6	-48.6	177.4	174.2	63.1	0	0	0	111.7	I234 I235 W240 L241 K242 L313 L379 L383	I234-L238 WeakPolarHBondContact O-CB 3.36Å; I234-L238 PolarHBondContact O-N 3.18Å; I235-L238 PolarHBondContact O-N 2.95Å; L238-W240 VanDerWaalsContact C-N 3.34Å; L238-W240 PolarHBondContact O-N 2.93Å; L238-L241 PolarHBondContact O-N 3.45Å; L238-K242 HydrophobicContact CD1-CG 4.46Å; L238-K242 WeakPolarHBondContact O-CB 3.29Å; L238-K242 WeakPolarHBondContact O-CG 3.27Å; L238-K242 PolarHBondContact O-N 2.48Å; L238-L313 HydrophobicContact CD2-CD2 3.62Å; L238-L379 HydrophobicContact CB-CD2 4.11Å; L238-L379 HydrophobicContact CD1-CD2 3.62Å; L238-L379 HydrophobicContact CG-CD2 4.36Å; L238-L383 HydrophobicContact CD1-CD1 4.12Å; L238-L383 HydrophobicContact CD1-CD2 4.3Å; L238-L383 HydrophobicContact CD1-CG 4.42Å
239	M	90	Very high	83.8	Confident	113 Å²	113	48.8 Å²	48.8	56%	0.557	24%	0.235	S	C	*	.	H	α-helix	trans	-63.1	-41.1	177.4	-72.6	-176.7	173.6	0	0	111.5	I235 L237 K242 K243	I235-M239 HydrophobicContact CG2-CE 3.69Å; I235-M239 HydrophobicContact CG2-CG 4.22Å; I235-M239 HydrophobicContact CG2-SD 4.05Å; I235-M239 WeakPolarHBondContact O-CB 3.47Å; I235-M239 VanDerWaalsContact O-CG 3.29Å; I235-M239 WeakPolarHBondContact O-CG 3.39Å; I235-M239 PolarHBondContact O-N 2.67Å; L237-M239 PolarHBondContact O-N 2.57Å; M239-K242 PolarHBondContact O-N 3.35Å; M239-K243 WeakPolarHBondContact O-CB 3.37Å; M239-K243 PolarHBondContact O-N 3.22Å
240	W	91.3	Very high	83.3	Confident	13 Å²	13	54.1 Å²	54.1	5%	0.049	26%	0.258	C	S	.	.	H	α-helix	trans	-61.5	-46.4	176.5	-178.3	83.6	0	0	0	111.7	K236 L237 L238 K243 W244 S359 K360 F362 P510 I512 Y529	K236-W240 VanDerWaalsContact O-CB 3.24Å; K236-W240 WeakPolarHBondContact O-CB 3.42Å; K236-W240 PolarHBondContact O-N 3.18Å; L237-W240 HydrophobicContact CD1-CE3 3.95Å; L237-W240 HydrophobicContact CD1-CZ3 4.34Å; L237-W240 PolarHBondContact O-N 3.04Å; L238-W240 VanDerWaalsContact C-N 3.34Å; L238-W240 PolarHBondContact O-N 2.93Å; W240-K243 PolarHBondContact O-N 3.17Å; W240-W244 AromaticContact CD2-CD1 3.73Å; W240-W244 AromaticContact CD2-NE1 3.78Å; W240-W244 AromaticContact CE2-CD1 3.63Å; W240-W244 AromaticContact CE2-NE1 3.16Å; W240-W244 AromaticContact CH2-NE1 3.75Å; W240-W244 AromaticContact CZ2-CD1 3.88Å; W240-W244 AromaticContact CZ2-NE1 3.15Å; W240-W244 AromaticContact NE1-NE1 3.52Å; W240-W244 VanDerWaalsContact O-CD1 3.27Å; W240-W244 PolarHBondContact O-N 3.36Å; W240-W244 VanDerWaalsContact O-N 3.07Å; W240-S359 PolarHBondContact NE1-O 3.5Å; W240-K360 WeakPolarHBondContact CZ2-O 3.14Å; W240-F362 HydrophobicContact CB-CD2 4.21Å; W240-F362 HydrophobicContact CB-CE2 4.01Å; W240-F362 AromaticContact CD2-CD2 3.61Å; W240-F362 HydrophobicContact CD2-CD2 3.61Å; W240-F362 HydrophobicContact CD2-CE2 4.31Å; W240-F362 HydrophobicContact CE3-CB 4.17Å; W240-F362 AromaticContact CE3-CD2 3.72Å; W240-F362 HydrophobicContact CE3-CD2 3.72Å; W240-F362 HydrophobicContact CE3-CG 4.26Å; W240-F362 AromaticContact CG-CD2 3.85Å; W240-F362 HydrophobicContact CG-CD2 3.85Å; W240-F362 HydrophobicContact CG-CE2 4.11Å; W240-F362 HydrophobicContact CH2-CB 3.84Å; W240-F362 HydrophobicContact CZ2-CB 4.24Å; W240-F362 HydrophobicContact CZ3-CB 3.8Å; W240-F362 HydrophobicContact CZ3-CD2 4.24Å; W240-F362 HydrophobicContact CZ3-CG 4.38Å; W240-P510 HydrophobicContact CH2-CB 3.48Å; W240-P510 VanDerWaalsContact CH2-CB 3.48Å; W240-P510 HydrophobicContact CZ2-CB 4.32Å; W240-P510 HydrophobicContact CZ3-CB 3.67Å; W240-I512 HydrophobicContact CH2-CG1 4.48Å; W240-I512 HydrophobicContact CZ3-CD1 4.37Å; W240-I512 HydrophobicContact CZ3-CG1 3.98Å; W240-Y529 AromaticContact CD1-CD2 3.76Å; W240-Y529 AromaticContact CD1-CE2 3.62Å; W240-Y529 AromaticContact NE1-CD2 3.66Å; W240-Y529 AromaticContact NE1-CE2 3.61Å
241	L	91.6	Very high	82.9	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-66	-39.6	176.3	-73	177	0	0	0	113	L237 L238 K243 W244 K245 L379 L383 F385 I480 P510 I512	L237-L241 HydrophobicContact CD1-CD1 4.25Å; L237-L241 HydrophobicContact CD1-CG 4.22Å; L237-L241 HydrophobicContact CG-CD1 4.3Å; L237-L241 WeakPolarHBondContact O-CG 3.35Å; L237-L241 PolarHBondContact O-N 3.38Å; L238-L241 PolarHBondContact O-N 3.45Å; L241-K243 VanDerWaalsContact C-N 3.31Å; L241-K243 PolarHBondContact O-N 3.15Å; L241-W244 WeakPolarHBondContact O-CB 3.44Å; L241-W244 PolarHBondContact O-N 3.16Å; L241-K245 PolarHBondContact O-N 3.39Å; L241-L379 HydrophobicContact CD1-CB 4.08Å; L241-L379 HydrophobicContact CD1-CD1 4.31Å; L241-L383 HydrophobicContact CB-CD1 3.49Å; L241-L383 VanDerWaalsContact CB-CD1 3.49Å; L241-L383 HydrophobicContact CD1-CD1 4.23Å; L241-F385 HydrophobicContact CB-CE2 4.3Å; L241-I480 HydrophobicContact CD1-CD1 4.12Å; L241-I480 HydrophobicContact CD2-CD1 3.75Å; L241-I480 HydrophobicContact CD2-CG1 4.05Å; L241-P510 HydrophobicContact CD2-CB 4.19Å; L241-P510 HydrophobicContact CD2-CG 4.34Å; L241-I512 HydrophobicContact CD2-CD1 4.35Å
242	K	89.1	Confident	81.8	Confident	68 Å²	68	58.9 Å²	58.9	30%	0.296	28%	0.281	S	S	.	.	H	α-helix	trans	-59	-43.3	173	-79.3	-175.5	173.1	-171.4	0	111.6	L238 M239 W244 K245 Y246 L383	L238-K242 HydrophobicContact CD1-CG 4.46Å; L238-K242 WeakPolarHBondContact O-CB 3.29Å; L238-K242 WeakPolarHBondContact O-CG 3.27Å; L238-K242 PolarHBondContact O-N 2.48Å; M239-K242 PolarHBondContact O-N 3.35Å; K242-W244 VanDerWaalsContact C-N 3.31Å; K242-W244 PolarHBondContact O-N 2.81Å; K242-K245 PolarHBondContact O-N 3.1Å; K242-Y246 PolarHBondContact O-N 2.87Å; K242-L383 HydrophobicContact CG-CD1 4.39Å; K242-L383 HydrophobicContact CG-CD2 3.88Å
243	K	88.3	Confident	80.5	Confident	103 Å²	103	60.7 Å²	60.7	45%	0.448	29%	0.286	S	S	.	.	H	α-helix	trans	-62.7	-37.6	176.3	-174.1	163.4	175.1	-170.7	0	112	M239 W240 L241 K247 Q358	M239-K243 WeakPolarHBondContact O-CB 3.37Å; M239-K243 PolarHBondContact O-N 3.22Å; W240-K243 PolarHBondContact O-N 3.17Å; L241-K243 VanDerWaalsContact C-N 3.31Å; L241-K243 PolarHBondContact O-N 3.15Å; K243-K247 WeakPolarHBondContact O-CG 3.22Å; K243-K247 PolarHBondContact O-N 3.41Å; K243-K247 VanDerWaalsContact O-N 3.08Å; K243-Q358 VanDerWaalsContact CD-NE2 3.28Å; K243-Q358 VanDerWaalsContact CE-NE2 3.25Å
244	W	86.6	Confident	79.1	Confident	26 Å²	26	64.4 Å²	64.4	10%	0.098	31%	0.312	C	S	.	.	H	α-helix	trans	-62.9	-48.1	171.6	-86.6	103	0	0	0	112.6	W240 L241 K242 Y246 K247 N248 K360 F385 P510	W240-W244 AromaticContact CD2-CD1 3.73Å; W240-W244 AromaticContact CD2-NE1 3.78Å; W240-W244 AromaticContact CE2-CD1 3.63Å; W240-W244 AromaticContact CE2-NE1 3.16Å; W240-W244 AromaticContact CH2-NE1 3.75Å; W240-W244 AromaticContact CZ2-CD1 3.88Å; W240-W244 AromaticContact CZ2-NE1 3.15Å; W240-W244 AromaticContact NE1-NE1 3.52Å; W240-W244 VanDerWaalsContact O-CD1 3.27Å; W240-W244 PolarHBondContact O-N 3.36Å; W240-W244 VanDerWaalsContact O-N 3.07Å; L241-W244 WeakPolarHBondContact O-CB 3.44Å; L241-W244 PolarHBondContact O-N 3.16Å; K242-W244 VanDerWaalsContact C-N 3.31Å; K242-W244 PolarHBondContact O-N 2.81Å; W244-Y246 VanDerWaalsContact C-N 3.31Å; W244-Y246 PolarHBondContact O-N 3Å; W244-K247 PolarHBondContact O-N 3.2Å; W244-N248 PolarHBondContact O-N 2.97Å; W244-N248 VanDerWaalsContact O-N 3.12Å; W244-K360 HydrophobicContact CH2-CG 4.39Å; W244-K360 HydrophobicContact CZ2-CB 4.39Å; W244-K360 HydrophobicContact CZ2-CG 4.27Å; W244-F385 HydrophobicContact CB-CZ 4.4Å; W244-P510 HydrophobicContact CB-CG 4.48Å; W244-P510 HydrophobicContact CD2-CB 4.08Å; W244-P510 HydrophobicContact CD2-CG 4.31Å; W244-P510 HydrophobicContact CG-CB 4.04Å; W244-P510 HydrophobicContact CG-CG 4.24Å
245	K	84.3	Confident	76.8	Confident	82 Å²	82	71.9 Å²	71.9	36%	0.357	35%	0.349	S	S	.	.	H	α-helix	trans	-57.3	-45	178.4	-171.3	172.1	-179.9	175.6	0	111.7	L241 K242 N248 S249 L383 F385	L241-K245 PolarHBondContact O-N 3.39Å; K242-K245 PolarHBondContact O-N 3.1Å; K245-N248 PolarHBondContact O-N 3.49Å; K245-S249 PolarHBondContact O-N 3.42Å; K245-L383 WeakPolarHBondContact CD-O 3.4Å; K245-L383 WeakPolarHBondContact CE-O 3.23Å; K245-L383 PolarHBondContact NZ-O 3.09Å; K245-F385 HydrophobicContact CB-CE2 4.1Å; K245-F385 HydrophobicContact CB-CZ 3.81Å; K245-F385 HydrophobicContact CD-CE2 4.49Å
246	Y	83.3	Confident	74.2	Confident	135 Å²	135	79 Å²	79	53%	0.529	38%	0.381	S	S	.	.	H	α-helix	trans	-66.9	-36.7	178.6	179.6	-101.1	0	0	0	113.6	K242 W244 S249 K250	K242-Y246 PolarHBondContact O-N 2.87Å; W244-Y246 VanDerWaalsContact C-N 3.31Å; W244-Y246 PolarHBondContact O-N 3Å; Y246-S249 PolarHBondContact O-N 3.24Å; Y246-S249 PolarHBondContact O-OG 3.16Å; Y246-K250 HydrophobicContact CD1-CD 4.47Å; Y246-K250 HydrophobicContact CE1-CD 3.81Å; Y246-K250 HydrophobicContact CE1-CG 4.37Å; Y246-K250 PolarHBondContact O-N 3.15Å; Y246-K250 WeakPolarHBondContact OH-CE 3.33Å; Y246-K250 PolarHBondContact OH-NZ 3.18Å
247	K	78.7	Confident	71.9	Confident	84 Å²	84	77.7 Å²	77.7	37%	0.365	39%	0.387	S	S	.	.	H	α-helix	trans	-65	-41.6	176.1	-78.3	-179.6	-179.8	-168.1	0	111.8	K243 W244 S249 K250 V251	K243-K247 WeakPolarHBondContact O-CG 3.22Å; K243-K247 PolarHBondContact O-N 3.41Å; K243-K247 VanDerWaalsContact O-N 3.08Å; W244-K247 PolarHBondContact O-N 3.2Å; K247-S249 VanDerWaalsContact C-N 3.34Å; K247-S249 PolarHBondContact O-N 3.38Å; K247-K250 PolarHBondContact O-N 3.39Å; K247-V251 WeakPolarHBondContact O-CG2 3.34Å; K247-V251 PolarHBondContact O-N 3.27Å
248	N	72.4	Confident	69.2	Low	27 Å²	27	83.8 Å²	83.8	14%	0.144	43%	0.43	C	S	.	.	H	α-helix	trans	-64.2	-39.9	179.4	-71.3	-12.4	0	0	0	111.6	W244 K245 K250 V251 E252 N478	W244-N248 PolarHBondContact O-N 2.97Å; W244-N248 VanDerWaalsContact O-N 3.12Å; K245-N248 PolarHBondContact O-N 3.49Å; N248-K250 PolarHBondContact O-N 3.43Å; N248-V251 PolarHBondContact O-N 2.85Å; N248-E252 PolarHBondContact O-N 3.14Å; N248-N478 VanDerWaalsContact CB-OD1 3.29Å; N248-N478 WeakPolarHBondContact CB-OD1 3.38Å; N248-N478 PolarHBondContact ND2-OD1 3Å
249	S	71.4	Confident	66.2	Low	41 Å²	41	90.6 Å²	90.6	29%	0.287	47%	0.466	S	S	.	.	H	α-helix	trans	-67.3	-31.7	177	63.4	0	0	0	0	113.8	K245 Y246 K247 E252 N253	K245-S249 PolarHBondContact O-N 3.42Å; Y246-S249 PolarHBondContact O-N 3.24Å; Y246-S249 PolarHBondContact O-OG 3.16Å; K247-S249 VanDerWaalsContact C-N 3.34Å; K247-S249 PolarHBondContact O-N 3.38Å; S249-E252 PolarHBondContact O-N 2.88Å; S249-N253 PolarHBondContact O-N 3.05Å
250	K	68.6	Low	63.3	Low	116 Å²	116	90.2 Å²	90.2	50%	0.504	47%	0.474	S	S	.	.	H	α-helix	trans	-66.3	-40.1	173.7	-83.7	-170.3	168.2	171.9	0	113.2	Y246 K247 N248 E252 N253 S254	Y246-K250 HydrophobicContact CD1-CD 4.47Å; Y246-K250 HydrophobicContact CE1-CD 3.81Å; Y246-K250 HydrophobicContact CE1-CG 4.37Å; Y246-K250 PolarHBondContact O-N 3.15Å; Y246-K250 WeakPolarHBondContact OH-CE 3.33Å; Y246-K250 PolarHBondContact OH-NZ 3.18Å; K247-K250 PolarHBondContact O-N 3.39Å; N248-K250 PolarHBondContact O-N 3.43Å; K250-E252 PolarHBondContact O-N 2.97Å; K250-N253 PolarHBondContact O-N 3.31Å; K250-S254 PolarHBondContact O-N 3.07Å; K250-S254 VanDerWaalsContact O-N 3.14Å
251	V	64.3	Low	60.4	Low	71 Å²	71	99.7 Å²	99.7	43%	0.43	52%	0.516	S	S	.	.	H	α-helix	trans	-62.3	-38.8	177.6	176.4	0	0	0	0	109.7	K247 N248 S254	K247-V251 WeakPolarHBondContact O-CG2 3.34Å; K247-V251 PolarHBondContact O-N 3.27Å; N248-V251 PolarHBondContact O-N 2.85Å; V251-S254 PolarHBondContact O-OG 3.28Å
252	E	55	Low	57.4	Low	91 Å²	91	107.3 Å²	107.3	43%	0.425	56%	0.556	S	S	.	*	H	α-helix	trans	-64.5	-50	175.3	-68	175.7	168.1	0	0	112.5	N248 S249 K250 S254 M255	N248-E252 PolarHBondContact O-N 3.14Å; S249-E252 PolarHBondContact O-N 2.88Å; K250-E252 PolarHBondContact O-N 2.97Å; E252-S254 PolarHBondContact O-N 3.26Å; E252-M255 PolarHBondContact O-N 2.73Å
253	N	52.9	Low	54.5	Low	121 Å²	121	113.7 Å²	113.7	65%	0.647	58%	0.584	S	S	*	*	H	α-helix	trans	-64.3	-25.3	-178.9	-69.7	-10.5	0	0	0	113.3	S249 K250 M255	S249-N253 PolarHBondContact O-N 3.05Å; K250-N253 PolarHBondContact O-N 3.31Å; N253-M255 PolarHBondContact O-N 3.06Å
254	S	49	Very low	51.4	Low	95 Å²	95	114.8 Å²	114.8	66%	0.664	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-9	175.7	70.5	0	0	0	0	114.1	K250 V251 E252	K250-S254 PolarHBondContact O-N 3.07Å; K250-S254 VanDerWaalsContact O-N 3.14Å; V251-S254 PolarHBondContact O-OG 3.28Å; E252-S254 PolarHBondContact O-N 3.26Å
255	M	39.5	Very low	48.5	Very low	159 Å²	159	119.8 Å²	119.8	78%	0.783	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	10.3	-179	-76.4	-166.9	159.3	0	0	114.5	E252 N253	E252-M255 PolarHBondContact O-N 2.73Å; N253-M255 PolarHBondContact O-N 3.06Å
256	E	31.1	Very low	45.7	Very low	165 Å²	165	125 Å²	125	77%	0.771	66%	0.656	S	S	*	*			trans	-76.2	132.6	174.1	-86.2	-164.1	152.3	0	0	113.1	S258	E256-S258 PolarHBondContact O-N 3.12Å
257	P	39.3	Very low	42.9	Very low	110 Å²	110	123.7 Å²	123.7	71%	0.714	67%	0.666	S	S	*	*			trans	-78.4	117.1	-171.3	29.9	-31.6	0	0	0	111.1	L259	P257-L259 PolarHBondContact O-N 3.43Å
258	S	34.8	Very low	40.4	Very low	128 Å²	128	126.5 Å²	126.5	90%	0.895	69%	0.69	S	S	*	*			trans	-60.9	98.8	170.7	41.2	0	0	0	0	111	E256	E256-S258 PolarHBondContact O-N 3.12Å
259	L	28.3	Very low	38.2	Very low	155 Å²	155	135.3 Å²	135.3	81%	0.812	73%	0.728	S	S	*	*			trans	-74	138.6	166.7	-86.2	158.5	0	0	0	110.3	P257	P257-L259 PolarHBondContact O-N 3.43Å
260	S	28.9	Very low	36	Very low	105 Å²	105	142.8 Å²	142.8	73%	0.734	76%	0.755	S	S	*	*			trans	78.6	106	164	79.1	0	0	0	0	118
261	K	31.9	Very low	33.9	Very low	212 Å²	212	149.4 Å²	149.4	92%	0.922	78%	0.777	S	S	*	*				-158.2	99.4	128.9	-105.7	165.1	-169.5	177.1	0	109.3	K263	K261-K263 PolarHBondContact O-N 2.82Å
262	N	26.8	Very low	32.1	Very low	159 Å²	159	154.1 Å²	154.1	85%	0.85	80%	0.798	S	S	*	*			trans	-55.6	120.3	170.3	-70.2	-28.1	0	0	0	110.3
263	K	28.5	Very low	30.6	Very low	202 Å²	202	161 Å²	161	88%	0.878	82%	0.821	S	S	*	*			trans	-131.5	97	153.1	-85	-170.1	176.3	-179.4	0	109.1	K261	K261-K263 PolarHBondContact O-N 2.82Å
264	T	23.9	Very low	29.3	Very low	127 Å²	127	160.9 Å²	160.9	78%	0.779	83%	0.829	S	S	*	*			trans	-57.5	124.2	159.5	45.9	0	0	0	0	110.3
265	T	26.2	Very low	28.1	Very low	130 Å²	130	161.6 Å²	161.6	80%	0.798	83%	0.834	S	S	*	*			trans	-170.9	109.6	141.2	40.1	0	0	0	0	111.6
266	K	24.8	Very low	27.6	Very low	192 Å²	192	159.4 Å²	159.4	84%	0.835	83%	0.832	S	S	*	*			trans	46.3	101.3	135.9	-68.1	-179.5	176.5	177.6	0	119.7
267	S	23.7	Very low	27.5	Very low	107 Å²	107	163.5 Å²	163.5	75%	0.748	84%	0.84	S	S	*	*				26.5	109	121.4	63.8	0	0	0	0	118.5
268	T	28.1	Very low	26.9	Very low	143 Å²	143	168.9 Å²	168.9	88%	0.877	85%	0.848	S	S	*	*			trans	-152.5	119.8	132.2	30.6	0	0	0	0	109.4	K270	T268-K270 PolarHBondContact O-N 3.35Å
269	K	24.7	Very low	26.6	Very low	213 Å²	213	166.5 Å²	166.5	93%	0.926	83%	0.831	S	S	*	*			trans	-61.1	119.2	172.5	-73.8	171.2	172.9	173.7	0	109.5
270	K	26.3	Very low	26.6	Very low	197 Å²	197	164.7 Å²	164.7	86%	0.857	83%	0.832	S	S	*	*			trans	-154.8	117.6	150.7	-109.7	171.5	-174	-180	0	110.2	T268 L272	T268-K270 PolarHBondContact O-N 3.35Å; K270-L272 PolarHBondContact O-N 2.9Å
271	R	23.8	Very low	26.4	Very low	255 Å²	255	165 Å²	165	96%	0.962	83%	0.825	S	S	*	*			trans	-7.7	110.8	165.6	-75.5	169.2	155.2	171.9	-7.4	115
272	L	26.2	Very low	26.2	Very low	170 Å²	170	163.4 Å²	163.4	89%	0.89	82%	0.821	S	S	*	*			trans	-118	112.2	165.3	-89	149.6	0	0	0	109	K270	K270-L272 PolarHBondContact O-N 2.9Å
273	R	24	Very low	26.2	Very low	237 Å²	237	162.7 Å²	162.7	89%	0.894	82%	0.817	S	S	*	*			trans	-53.5	135	166.2	-77.2	173	166.6	160.9	-5.9	108.7	S275	R273-S275 PolarHBondContact O-N 3.37Å
274	S	24.7	Very low	26.1	Very low	117 Å²	117	162 Å²	162	82%	0.818	81%	0.814	S	S	*	*			trans	-62.7	98.3	171.1	49.7	0	0	0	0	110
275	S	25.2	Very low	26.2	Very low	110 Å²	110	161.9 Å²	161.9	77%	0.769	81%	0.813	S	S	*	*			trans	-91.8	112.3	159.4	-76.8	0	0	0	0	107.9	R273	R273-S275 PolarHBondContact O-N 3.37Å
276	P	29.5	Very low	26.2	Very low	114 Å²	114	160.5 Å²	160.5	74%	0.74	81%	0.805	S	S	*	*			trans	-70.5	134.9	174.5	25.7	-23.6	0	0	0	108.9	Y278	P276-Y278 PolarHBondContact O-N 3.32Å
277	R	27	Very low	26.1	Very low	250 Å²	250	160.1 Å²	160.1	94%	0.943	80%	0.803	S	S	*	*			trans	-64	119.5	177.3	-70.3	-176.5	-160.3	174.3	6.3	108.6	S279	R277-S279 PolarHBondContact O-N 2.82Å
278	Y	28.3	Very low	26.2	Very low	224 Å²	224	160.2 Å²	160.2	88%	0.878	80%	0.803	S	S	*	*			trans	-43.7	119.9	178.7	-109.9	-106.9	0	0	0	113.1	P276	P276-Y278 PolarHBondContact O-N 3.32Å
279	S	27.2	Very low	26.1	Very low	78 Å²	78	159 Å²	159	55%	0.545	80%	0.798	S	S	.	*			trans	-65.6	121.2	148	-170.7	0	0	0	0	107.2	R277 D281	R277-S279 PolarHBondContact O-N 2.82Å; S279-D281 WeakPolarHBondContact CB-OD2 3.45Å; S279-D281 PolarHBondContact O-N 2.62Å; S279-D281 VanDerWaalsContact OG-CG 3.23Å; S279-D281 PolarHBondContact OG-OD1 2.98Å; S279-D281 PolarHBondContact OG-OD2 2.9Å
280	S	29.3	Very low	26.1	Very low	117 Å²	117	152.6 Å²	152.6	82%	0.818	78%	0.784	S	S	*	*			trans	-88.3	71.1	168.6	66.8	0	0	0	0	108.4	E282	S280-E282 VanDerWaalsContact C-N 3.33Å; S280-E282 PolarHBondContact O-N 3.05Å
281	D	25.2	Very low	26	Very low	112 Å²	112	151.3 Å²	151.3	60%	0.599	78%	0.781	S	S	*	*			trans	-77.3	87.5	165.4	-68.8	-48	0	0	0	107.8	S279	S279-D281 WeakPolarHBondContact CB-OD2 3.45Å; S279-D281 PolarHBondContact O-N 2.62Å; S279-D281 VanDerWaalsContact OG-CG 3.23Å; S279-D281 PolarHBondContact OG-OD1 2.98Å; S279-D281 PolarHBondContact OG-OD2 2.9Å
282	E	26.7	Very low	26.2	Very low	177 Å²	177	147.7 Å²	147.7	83%	0.827	77%	0.772	S	S	*	*			trans	-117.4	66.7	153.7	-70.9	-68.4	170.6	0	0	106	S280 F284	S280-E282 VanDerWaalsContact C-N 3.33Å; S280-E282 PolarHBondContact O-N 3.05Å; E282-F284 PolarHBondContact O-N 2.95Å
283	D	27.7	Very low	26	Very low	144 Å²	144	151.8 Å²	151.8	77%	0.77	78%	0.776	S	S	*	*			trans	-63.5	103.4	169.1	-92.5	-19.7	0	0	0	108.3	V285	D283-V285 PolarHBondContact O-N 3.43Å
284	F	25.4	Very low	26	Very low	187 Å²	187	147.9 Å²	147.9	82%	0.82	77%	0.768	S	S	*	*			trans	-59.4	92.9	-179.1	-159.9	-108.9	0	0	0	110.3	E282 V286	E282-F284 PolarHBondContact O-N 2.95Å; F284-V286 VanDerWaalsContact C-N 3.34Å; F284-V286 HydrophobicContact CD1-CG2 3.35Å; F284-V286 HydrophobicContact CE1-CG2 3.59Å; F284-V286 PolarHBondContact O-N 3.32Å
285	V	25.4	Very low	25.9	Very low	125 Å²	125	152.1 Å²	152.1	76%	0.758	77%	0.771	S	S	*	*			trans	-68.1	93.7	165.9	178.7	0	0	0	0	107.9	D283 K287	D283-V285 PolarHBondContact O-N 3.43Å; V285-K287 VanDerWaalsContact C-N 3.32Å; V285-K287 HydrophobicContact CG1-CG 4.48Å; V285-K287 PolarHBondContact O-N 3.46Å
286	V	26.9	Very low	25.8	Very low	102 Å²	102	156.2 Å²	156.2	62%	0.618	77%	0.771	S	S	*	*			trans	-67.9	94.2	168.4	-176.9	0	0	0	0	107.9	F284 S288	F284-V286 VanDerWaalsContact C-N 3.34Å; F284-V286 HydrophobicContact CD1-CG2 3.35Å; F284-V286 HydrophobicContact CE1-CG2 3.59Å; F284-V286 PolarHBondContact O-N 3.32Å; V286-S288 PolarHBondContact O-N 2.69Å; V286-S288 VanDerWaalsContact O-N 3.08Å
287	K	23.5	Very low	25.5	Very low	184 Å²	184	158.6 Å²	158.6	80%	0.8	78%	0.778	S	S	*	*			trans	-61.1	108.7	161.3	-71	-177.2	179	178.4	0	107.2	V285 P289	V285-K287 VanDerWaalsContact C-N 3.32Å; V285-K287 HydrophobicContact CG1-CG 4.48Å; V285-K287 PolarHBondContact O-N 3.46Å; K287-P289 WeakPolarHBondContact O-CD 3.48Å
288	S	25.1	Very low	25.5	Very low	108 Å²	108	152.7 Å²	152.7	76%	0.755	77%	0.769	S	S	*	*			trans	-53.9	111.6	176.8	46.4	0	0	0	0	111.3	V286 A290	V286-S288 PolarHBondContact O-N 2.69Å; V286-S288 VanDerWaalsContact O-N 3.08Å; S288-A290 PolarHBondContact O-N 3.08Å
289	P	26.3	Very low	25.2	Very low	119 Å²	119	150.7 Å²	150.7	77%	0.773	77%	0.768	S	S	*	*			trans	-82.2	104.7	164.7	4	16.5	0	0	0	106.5	K287 H291	K287-P289 WeakPolarHBondContact O-CD 3.48Å; P289-H291 PolarHBondContact O-N 3.12Å
290	A	24.8	Very low	25.1	Very low	77 Å²	77	153 Å²	153	64%	0.636	78%	0.778	S	S	*	*			trans	-56.7	124.7	155.7	0	0	0	0	0	107.3	S288	S288-A290 PolarHBondContact O-N 3.08Å
291	H	25	Very low	24.9	Very low	170 Å²	170	153 Å²	153	79%	0.787	78%	0.775	S	S	*	*			trans	158.6	130.2	134.2	-78	-53.1	0	0	0	112.1	P289	P289-H291 PolarHBondContact O-N 3.12Å
292	K	26.3	Very low	24.8	Very low	179 Å²	179	151.4 Å²	151.4	78%	0.778	79%	0.785	S	S	*	*			trans	68.6	100.5	155.1	-64.3	-179.1	-179.6	-178.3	0	117.5	H294	K292-H294 PolarHBondContact O-N 3.49Å
293	R	23	Very low	24.8	Very low	256 Å²	256	147.9 Å²	147.9	97%	0.966	78%	0.78	S	S	*	*			trans	-49.9	98.9	160.6	-74.2	173.8	162.8	162.7	-6.9	110.1
294	H	24.5	Very low	24.6	Very low	156 Å²	156	147 Å²	147	72%	0.722	78%	0.779	S	S	*	*			trans	-86.8	115.4	158.8	-89.9	-69	0	0	0	108.4	K292 Y296	K292-H294 PolarHBondContact O-N 3.49Å; H294-Y296 HydrophobicContact CB-CE2 4.2Å; H294-Y296 PolarHBondContact O-N 3.25Å; H294-Y296 VanDerWaalsContact O-N 3.15Å
295	K	21.3	Very low	24.5	Very low	205 Å²	205	145.9 Å²	145.9	89%	0.891	78%	0.777	S	S	*	*			trans	-60.2	109.1	169.6	-78.3	178.6	173.5	178.2	0	108
296	Y	23.5	Very low	24.5	Very low	197 Å²	197	147.2 Å²	147.2	77%	0.773	78%	0.78	S	S	*	*			trans	-95.7	118.9	163.5	-81.4	-86.1	0	0	0	107.9	H294 V298	H294-Y296 HydrophobicContact CB-CE2 4.2Å; H294-Y296 PolarHBondContact O-N 3.25Å; H294-Y296 VanDerWaalsContact O-N 3.15Å; Y296-V298 PolarHBondContact O-N 3.37Å; Y296-V298 VanDerWaalsContact O-N 3.16Å
297	N	23.3	Very low	24.4	Very low	164 Å²	164	148.3 Å²	148.3	88%	0.877	78%	0.781	S	S	*	*			trans	-65.3	107.3	162	-77.1	-13.9	0	0	0	106.9	H299	N297-H299 PolarHBondContact O-N 3.3Å
298	V	26.7	Very low	24.5	Very low	125 Å²	125	147.3 Å²	147.3	76%	0.758	78%	0.784	S	S	*	*			trans	-84.6	109.1	-179.2	177.9	0	0	0	0	108.2	Y296	Y296-V298 PolarHBondContact O-N 3.37Å; Y296-V298 VanDerWaalsContact O-N 3.16Å
299	H	21.8	Very low	24.8	Very low	183 Å²	183	149.5 Å²	149.5	85%	0.847	78%	0.783	S	S	*	*			trans	-69.2	124.8	170	-156.2	61.7	0	0	0	109.2	N297 P301	N297-H299 PolarHBondContact O-N 3.3Å; H299-P301 WeakPolarHBondContact O-CD 3.4Å
300	V	25.1	Very low	24.9	Very low	126 Å²	126	150 Å²	150	76%	0.764	78%	0.778	S	S	*	*			trans	-77	116.3	-178	179	0	0	0	0	108.8	G302	V300-G302 PolarHBondContact O-N 3.16Å; V300-G302 VanDerWaalsContact O-N 3.11Å
301	P	25.6	Very low	25.6	Very low	118 Å²	118	148.5 Å²	148.5	77%	0.766	76%	0.763	S	S	*	*			trans	-80.2	101.7	-178.1	29.9	-29.6	0	0	0	110.1	H299	H299-P301 WeakPolarHBondContact O-CD 3.4Å
302	G	23.1	Very low	26.5	Very low	77 Å²	77	147.4 Å²	147.4	79%	0.794	77%	0.768	S	S	*	*			trans	-84.2	113.1	164	0	0	0	0	0	110.2	V300	V300-G302 PolarHBondContact O-N 3.16Å; V300-G302 VanDerWaalsContact O-N 3.11Å
303	S	26	Very low	27.7	Very low	104 Å²	104	141 Å²	141	73%	0.727	74%	0.742	S	S	*	*			trans	-142.5	117	157.9	43.8	0	0	0	0	108.5
304	V	24	Very low	29.7	Very low	125 Å²	125	133.8 Å²	133.8	76%	0.758	72%	0.722	S	S	*	*			trans	-87.2	105.4	178.2	178.4	0	0	0	0	106.9
305	E	24.3	Very low	32.1	Very low	163 Å²	163	128.2 Å²	128.2	76%	0.762	70%	0.698	S	S	*	*			trans	-85.8	119.2	167.8	-74.8	-177.6	165.8	0	0	109.1	I307	E305-I307 PolarHBondContact O-N 2.78Å
306	N	23.7	Very low	34.7	Very low	154 Å²	154	118.7 Å²	118.7	82%	0.824	66%	0.657	S	S	*	*			trans	-68.4	96.6	175.2	-76.5	-33.4	0	0	0	110.6	N308	N306-N308 PolarHBondContact O-N 2.71Å
307	I	26.4	Very low	37.2	Very low	124 Å²	124	109.9 Å²	109.9	64%	0.636	62%	0.623	S	S	*	*			trans	-89.7	101	170.4	-59.2	173	0	0	0	108	E305 E309	E305-I307 PolarHBondContact O-N 2.78Å; I307-E309 HydrophobicContact CG2-CB 4.3Å; I307-E309 HydrophobicContact CG2-CG 4.31Å; I307-E309 PolarHBondContact O-N 3.26Å; I307-E309 VanDerWaalsContact O-N 3.12Å
308	N	25.3	Very low	39.2	Very low	164 Å²	164	103.5 Å²	103.5	88%	0.877	60%	0.596	S	S	*	*			trans	-85.7	47.5	-179.3	-135.8	9.7	0	0	0	111.9	N306	N306-N308 PolarHBondContact O-N 2.71Å
309	E	30.3	Very low	41.2	Very low	154 Å²	154	100.1 Å²	100.1	72%	0.72	57%	0.57	S	S	*	*			trans	-103.1	120.6	166	-70.2	-174.9	177.8	0	0	106.6	I307 P311	I307-E309 HydrophobicContact CG2-CB 4.3Å; I307-E309 HydrophobicContact CG2-CG 4.31Å; I307-E309 PolarHBondContact O-N 3.26Å; I307-E309 VanDerWaalsContact O-N 3.12Å; E309-P311 WeakPolarHBondContact O-CD 3.42Å
310	N	29.7	Very low	43.1	Very low	128 Å²	128	96 Å²	96	68%	0.684	55%	0.553	S	S	*	*			trans	-77.6	94.8	170.5	-82.6	-42.6	0	0	0	108.3	R321	N310-R321 PolarHBondContact OD1-NH2 3.39Å
311	P	38.1	Very low	44.5	Very low	47 Å²	47	96.6 Å²	96.6	31%	0.305	54%	0.541	S	S	.	.			trans	-79.6	140.4	168.6	7.5	17.5	0	0	0	104.7	E309 L313	E309-P311 WeakPolarHBondContact O-CD 3.42Å; P311-L313 HydrophobicContact CB-CD2 4.06Å; P311-L313 HydrophobicContact CB-CG 3.81Å; P311-L313 HydrophobicContact CG-CD1 3.86Å; P311-L313 HydrophobicContact CG-CD2 3.96Å; P311-L313 HydrophobicContact CG-CG 3.67Å; P311-L313 PolarHBondContact O-N 2.93Å
312	T	43.9	Very low	45.4	Very low	147 Å²	147	97.8 Å²	97.8	90%	0.902	54%	0.541	S	S	*	.			trans	-60.1	83.1	160.2	48.1	0	0	0	0	107.1	N314	T312-N314 PolarHBondContact O-N 2.64Å
313	L	51.3	Low	46.1	Very low	43 Å²	43	100.1 Å²	100.1	23%	0.225	53%	0.532	C	S	.	.			trans	-84.9	114	-174.3	-75.7	165.6	0	0	0	106.9	L238 P311 L315	L238-L313 HydrophobicContact CD2-CD2 3.62Å; P311-L313 HydrophobicContact CB-CD2 4.06Å; P311-L313 HydrophobicContact CB-CG 3.81Å; P311-L313 HydrophobicContact CG-CD1 3.86Å; P311-L313 HydrophobicContact CG-CD2 3.96Å; P311-L313 HydrophobicContact CG-CG 3.67Å; P311-L313 PolarHBondContact O-N 2.93Å; L313-L315 HydrophobicContact CB-CD1 4.17Å; L313-L315 HydrophobicContact CB-CD2 3.94Å; L313-L315 HydrophobicContact CB-CG 3.7Å; L313-L315 HydrophobicContact CD1-CD2 4.28Å; L313-L315 PolarHBondContact O-N 2.84Å
314	N	65	Low	46.5	Very low	105 Å²	105	101.4 Å²	101.4	56%	0.561	53%	0.529	S	S	*	.			trans	-69.8	77.5	164.3	-83.1	-4.1	0	0	0	108.1	S225 T312	S225-N314 PolarHBondContact N-O 3.12Å; T312-N314 PolarHBondContact O-N 2.64Å
315	L	74.9	Confident	46.8	Very low	40 Å²	40	101.5 Å²	101.5	21%	0.209	53%	0.525	C	S	.	.	P	Polyproline II helix	trans	-74.6	151.4	-176.4	-67.2	159.8	0	0	0	111	S225 I235 L313 Y319	S225-L315 VanDerWaalsContact CA-O 3.28Å; S225-L315 WeakPolarHBondContact CA-O 3.46Å; I235-L315 HydrophobicContact CD1-CD2 3.37Å; L313-L315 HydrophobicContact CB-CD1 4.17Å; L313-L315 HydrophobicContact CB-CD2 3.94Å; L313-L315 HydrophobicContact CB-CG 3.7Å; L313-L315 HydrophobicContact CD1-CD2 4.28Å; L313-L315 PolarHBondContact O-N 2.84Å; L315-Y319 HydrophobicContact CB-CD1 4.1Å; L315-Y319 HydrophobicContact CB-CG 4.28Å; L315-Y319 HydrophobicContact CD1-CD1 3.73Å; L315-Y319 HydrophobicContact CD1-CE1 4.11Å; L315-Y319 HydrophobicContact CD2-CD1 3.82Å; L315-Y319 HydrophobicContact CD2-CE1 3.92Å; L315-Y319 HydrophobicContact CD2-CG 4.33Å; L315-Y319 HydrophobicContact CG-CD1 4.07Å
316	P	76.2	Confident	47.3	Very low	5 Å²	5	100.4 Å²	100.4	3%	0.032	53%	0.529	C	S	.	.	P	Polyproline II helix	trans	-51.4	154.6	175	-25.7	34.4	0	0	0	113.6	C224 F227 N229 I234 G318 Y319	C224-P316 VanDerWaalsContact O-CA 3.31Å; C224-P316 WeakPolarHBondContact O-CA 3.29Å; F227-P316 HydrophobicContact CB-CB 4.37Å; F227-P316 WeakPolarHBondContact O-CB 3.3Å; N229-P316 VanDerWaalsContact O-CB 3.31Å; N229-P316 WeakPolarHBondContact O-CB 3.4Å; I234-P316 HydrophobicContact CD1-CG 4.05Å; I234-P316 HydrophobicContact CG2-CG 3.87Å; P316-G318 PolarHBondContact O-N 2.94Å; P316-Y319 WeakPolarHBondContact O-CB 3.14Å; P316-Y319 PolarHBondContact O-N 3.27Å; P316-Y319 VanDerWaalsContact O-N 3.11Å
317	I	75.6	Confident	47.5	Very low	12 Å²	12	98 Å²	98	6%	0.062	53%	0.525	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	128.4	177.1	-59.9	176.3	0	0	0	108.7	F183 P184 S225 F227 L228	F183-I317 HydrophobicContact CD2-CG2 4.29Å; F183-I317 HydrophobicContact CE1-CG2 4.41Å; F183-I317 HydrophobicContact CE2-CG2 3.63Å; F183-I317 HydrophobicContact CZ-CG2 3.71Å; P184-I317 HydrophobicContact CG-CG2 3.92Å; S225-I317 WeakPolarHBondContact O-CG1 3.48Å; F227-I317 PolarHBondContact O-N 3.41Å; L228-I317 HydrophobicContact CD1-CB 4.4Å; L228-I317 HydrophobicContact CD1-CG2 4.29Å
318	G	66.4	Low	47.6	Very low	29 Å²	29	97 Å²	97	30%	0.299	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	0.6	-179.2	0	0	0	0	0	115.4	T230 P316 I320	T230-G318 WeakPolarHBondContact CG2-O 3.39Å; P316-G318 PolarHBondContact O-N 2.94Å; G318-I320 PolarHBondContact O-N 3.46Å; G318-I320 VanDerWaalsContact O-N 3.17Å
319	Y	68.1	Low	47.8	Very low	55 Å²	55	94.6 Å²	94.6	22%	0.216	53%	0.525	C	S	.	.			trans	-68.9	113.9	179.9	-173.6	-89.1	0	0	0	111.8	I235 L315 P316	I235-Y319 HydrophobicContact CD1-CE1 4.5Å; I235-Y319 HydrophobicContact CD1-CE2 4.07Å; I235-Y319 HydrophobicContact CG1-CD2 4.43Å; I235-Y319 HydrophobicContact CG1-CE2 3.59Å; L315-Y319 HydrophobicContact CB-CD1 4.1Å; L315-Y319 HydrophobicContact CB-CG 4.28Å; L315-Y319 HydrophobicContact CD1-CD1 3.73Å; L315-Y319 HydrophobicContact CD1-CE1 4.11Å; L315-Y319 HydrophobicContact CD2-CD1 3.82Å; L315-Y319 HydrophobicContact CD2-CE1 3.92Å; L315-Y319 HydrophobicContact CD2-CG 4.33Å; L315-Y319 HydrophobicContact CG-CD1 4.07Å; P316-Y319 WeakPolarHBondContact O-CB 3.14Å; P316-Y319 PolarHBondContact O-N 3.27Å; P316-Y319 VanDerWaalsContact O-N 3.11Å
320	I	61.3	Low	47.6	Very low	95 Å²	95	93.5 Å²	93.5	49%	0.487	53%	0.534	S	S	.	.			trans	-88.7	112.9	176.9	-57.1	171.9	0	0	0	109	G318 N322 Q323	G318-I320 PolarHBondContact O-N 3.46Å; G318-I320 VanDerWaalsContact O-N 3.17Å; I320-N322 HydrophobicContact CG2-CB 4.48Å; I320-N322 PolarHBondContact O-N 2.87Å; I320-Q323 HydrophobicContact CB-CG 4.33Å; I320-Q323 HydrophobicContact CG2-CG 4.34Å; I320-Q323 PolarHBondContact O-N 3.25Å
321	R	54.8	Low	47.6	Very low	139 Å²	139	91.8 Å²	91.8	53%	0.525	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-21.5	-175.8	-166.5	169.2	-174.9	174.4	-2.7	114.5	N310	N310-R321 PolarHBondContact OD1-NH2 3.39Å
322	N	44.1	Very low	47.1	Very low	143 Å²	143	95 Å²	95	77%	0.765	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-5.4	-174.4	-65.1	-3.1	0	0	0	114.5	I320 I324	I320-N322 HydrophobicContact CG2-CB 4.48Å; I320-N322 PolarHBondContact O-N 2.87Å; N322-I324 PolarHBondContact O-N 3.13Å; N322-I324 VanDerWaalsContact O-N 3.09Å
323	Q	39.3	Very low	46.5	Very low	126 Å²	126	95.5 Å²	95.5	59%	0.589	55%	0.553	S	S	*	*			trans	-85.6	49	177.4	-71.8	-174.2	-10.9	0	0	112.9	I320 D325	I320-Q323 HydrophobicContact CB-CG 4.33Å; I320-Q323 HydrophobicContact CG2-CG 4.34Å; I320-Q323 PolarHBondContact O-N 3.25Å; Q323-D325 PolarHBondContact O-N 3.31Å
324	I	34.1	Very low	45.4	Very low	131 Å²	131	102 Å²	102	67%	0.672	58%	0.582	S	S	*	*			trans	-84.8	71.5	160.3	-52.9	173.6	0	0	0	106.3	N322 V326	N322-I324 PolarHBondContact O-N 3.13Å; N322-I324 VanDerWaalsContact O-N 3.09Å; I324-V326 PolarHBondContact O-N 3.3Å
325	D	30	Very low	43.8	Very low	128 Å²	128	104.9 Å²	104.9	68%	0.684	60%	0.598	S	S	*	*			trans	-83.6	118.4	173.4	-83.6	-30.9	0	0	0	110.1	Q323 S327	Q323-D325 PolarHBondContact O-N 3.31Å; D325-S327 PolarHBondContact O-N 3.43Å
326	V	35	Very low	41.5	Very low	139 Å²	139	111.1 Å²	111.1	84%	0.842	63%	0.631	S	S	*	*			trans	-70.2	77	167.4	-176.9	0	0	0	0	107.3	I324	I324-V326 PolarHBondContact O-N 3.3Å
327	S	28.1	Very low	39.6	Very low	104 Å²	104	115.9 Å²	115.9	73%	0.727	66%	0.664	S	S	*	*			trans	-136.7	66.6	175.1	43	0	0	0	0	109.5	D325	D325-S327 PolarHBondContact O-N 3.43Å
328	S	28.6	Very low	37.4	Very low	104 Å²	104	121.5 Å²	121.5	73%	0.727	70%	0.7	S	S	*	*			trans	-111.5	135.2	153.6	57.2	0	0	0	0	108.6
329	S	29.5	Very low	35.4	Very low	113 Å²	113	128.6 Å²	128.6	79%	0.79	73%	0.725	S	S	*	*			trans	75.5	83.3	167.6	71.5	0	0	0	0	118.2
330	S	25.5	Very low	33.7	Very low	130 Å²	130	131.7 Å²	131.7	91%	0.909	76%	0.755	S	S	*	*			trans	-100.6	85	144.3	62.9	0	0	0	0	108.6
331	S	29.7	Very low	32.1	Very low	92 Å²	92	133.7 Å²	133.7	64%	0.643	77%	0.766	S	S	*	*			trans	-127.6	111.6	159.4	56.9	0	0	0	0	106.4	D333	S331-D333 PolarHBondContact O-N 2.74Å
332	S	27.6	Very low	31.1	Very low	114 Å²	114	135.8 Å²	135.8	80%	0.797	78%	0.782	S	S	*	*			trans	-59	107.5	-179.8	44.8	0	0	0	0	111.2
333	D	30.7	Very low	30.2	Very low	158 Å²	158	137.3 Å²	137.3	85%	0.845	79%	0.785	S	S	*	*			trans	-96.8	96.8	161.5	-71.2	-34.3	0	0	0	107.4	S331	S331-D333 PolarHBondContact O-N 2.74Å
334	E	29.6	Very low	29.8	Very low	180 Å²	180	140 Å²	140	84%	0.841	80%	0.797	S	S	*	*			trans	-93	108.5	157	-73.4	-164.7	171.8	0	0	107
335	D	30.9	Very low	29.4	Very low	166 Å²	166	141.9 Å²	141.9	89%	0.888	81%	0.808	S	S	*	*			trans	-157.1	92.5	153.4	-94.5	-28.7	0	0	0	109
336	N	27.5	Very low	29.4	Very low	170 Å²	170	139.1 Å²	139.1	91%	0.909	81%	0.81	S	S	*	*			trans	-73.2	119.3	167.5	-88.6	-33.2	0	0	0	109.6
337	S	34.3	Very low	29.1	Very low	105 Å²	105	138.7 Å²	138.7	73%	0.734	80%	0.803	S	S	*	*			trans	-158.3	94.5	148.9	42.9	0	0	0	0	112.5
338	T	29.4	Very low	29.7	Very low	131 Å²	131	139.7 Å²	139.7	80%	0.804	81%	0.807	S	S	*	*			trans	44.3	96.9	132.9	51.3	0	0	0	0	119.2
339	E	24.6	Very low	29.7	Very low	177 Å²	177	140.9 Å²	140.9	83%	0.827	81%	0.806	S	S	*	*			trans	4.4	123.6	130.2	-69.2	168.4	167.6	0	0	117.9
340	S	32.3	Very low	29.7	Very low	120 Å²	120	144.6 Å²	144.6	84%	0.839	81%	0.808	S	S	*	*			trans	-138.1	101.6	145.5	61.7	0	0	0	0	108
341	D	29.4	Very low	29.9	Very low	137 Å²	137	149.9 Å²	149.9	73%	0.733	81%	0.808	S	S	*	*			trans	-64.7	124.6	173.4	-65	-51.6	0	0	0	110.8
342	E	33	Very low	29.8	Very low	184 Å²	184	156.5 Å²	156.5	86%	0.86	82%	0.818	S	S	*	*			trans	-134.1	102.9	148.9	-77.6	-153.7	172.2	0	0	109.9	H344	E342-H344 PolarHBondContact O-N 2.96Å
343	E	24.6	Very low	30	Very low	175 Å²	175	158.2 Å²	158.2	82%	0.818	82%	0.818	S	S	*	*			trans	-61.8	119.1	170.5	-61.1	-179.7	146.2	0	0	110.5
344	H	31.3	Very low	30.2	Very low	182 Å²	182	161.7 Å²	161.7	84%	0.843	82%	0.819	S	S	*	*			trans	-126.6	101.6	158.3	-99.9	41.8	0	0	0	110.7	E342 G346	E342-H344 PolarHBondContact O-N 2.96Å; H344-G346 PolarHBondContact O-N 2.93Å
345	N	26.7	Very low	30.7	Very low	170 Å²	170	157.8 Å²	157.8	91%	0.909	82%	0.818	S	S	*	*			trans	-50.9	116.1	171.2	-89.3	-47.9	0	0	0	112.3
346	G	29.2	Very low	31.1	Very low	71 Å²	71	156.2 Å²	156.2	73%	0.732	81%	0.809	S	S	*	*			trans	-149.1	79.7	176.2	0	0	0	0	0	112.5	H344	H344-G346 PolarHBondContact O-N 2.93Å
347	N	28.7	Very low	31.7	Very low	129 Å²	129	160.6 Å²	160.6	69%	0.69	81%	0.813	S	S	*	*			trans	22.9	114.1	158.4	-148.2	-7.2	0	0	0	118.2	N349	N347-N349 PolarHBondContact O-N 3.01Å
348	P	39.7	Very low	33	Very low	126 Å²	126	157.5 Å²	157.5	82%	0.818	79%	0.787	S	S	*	*			trans	-81.8	62.3	-173.7	36.7	-35.5	0	0	0	111.6	K350	P348-K350 PolarHBondContact O-N 3.19Å
349	N	28.5	Very low	34.8	Very low	129 Å²	129	152.4 Å²	152.4	69%	0.69	76%	0.756	S	S	*	*			trans	-80.3	91.4	168.4	-85.3	-32.8	0	0	0	109.2	N347 R351	N347-N349 PolarHBondContact O-N 3.01Å; N349-R351 PolarHBondContact O-N 3.04Å
350	K	29.6	Very low	37.6	Very low	191 Å²	191	147.2 Å²	147.2	83%	0.83	73%	0.731	S	S	*	*			trans	31	71.8	151	-72.3	176	176.7	172.6	0	112.3	P348 R352	P348-K350 PolarHBondContact O-N 3.19Å; K350-R352 PolarHBondContact O-N 2.73Å
351	R	29.7	Very low	40.3	Very low	241 Å²	241	141.6 Å²	141.6	91%	0.909	69%	0.692	S	S	*	*			trans	-55.3	96.4	150.5	-84.6	-176.9	165.4	142.9	-2.3	104.5	N349 L353	N349-R351 PolarHBondContact O-N 3.04Å; R351-L353 PolarHBondContact O-N 2.77Å
352	R	28.4	Very low	43.4	Very low	230 Å²	230	135.2 Å²	135.2	87%	0.868	66%	0.658	S	S	*	*			trans	-52.1	96	162.3	-84.8	170.2	81	175.5	4.3	103.2	K350 R354	K350-R352 PolarHBondContact O-N 2.73Å; R352-R354 VanDerWaalsContact C-N 3.27Å; R352-R354 PolarHBondContact O-N 2.87Å
353	L	32.8	Very low	46.3	Very low	150 Å²	150	126.4 Å²	126.4	79%	0.785	62%	0.617	S	S	*	*			trans	-44.8	105.1	164.7	-81.7	146.2	0	0	0	103.8	R351 A355	R351-L353 PolarHBondContact O-N 2.77Å; L353-A355 PolarHBondContact O-N 3.41Å
354	R	33.1	Very low	49.6	Very low	232 Å²	232	118.1 Å²	118.1	88%	0.875	58%	0.578	S	S	*	*			trans	-50.1	116.2	178.8	-77.9	-178.4	172.8	177.6	-1.8	104.2	R352 N356	R352-R354 VanDerWaalsContact C-N 3.27Å; R352-R354 PolarHBondContact O-N 2.87Å; R354-N356 WeakPolarHBondContact O-CA 3.49Å; R354-N356 PolarHBondContact O-N 2.91Å
355	A	40.8	Very low	52.5	Low	98 Å²	98	109.6 Å²	109.6	81%	0.81	54%	0.539	S	S	*	.			trans	-39.2	108.5	-171.3	0	0	0	0	0	109	L353 W357	L353-A355 PolarHBondContact O-N 3.41Å; A355-W357 PolarHBondContact O-N 2.84Å
356	N	39.8	Very low	55.6	Low	132 Å²	132	101.9 Å²	101.9	71%	0.706	50%	0.499	S	S	*	.			trans	-38.7	116.4	-166.2	-66.5	-14.6	0	0	0	109.4	R354 Q358	R354-N356 WeakPolarHBondContact O-CA 3.49Å; R354-N356 PolarHBondContact O-N 2.91Å; N356-Q358 VanDerWaalsContact C-N 3.3Å; N356-Q358 PolarHBondContact O-N 2.77Å
357	W	40.7	Very low	58.3	Low	263 Å²	263	100.7 Å²	100.7	100%	0.996	48%	0.479	S	S	*	.			trans	-53.2	100	175.5	-109.8	-26.6	0	0	0	107.2	A355 S359	A355-W357 PolarHBondContact O-N 2.84Å; W357-S359 PolarHBondContact O-N 3.1Å
358	Q	60.9	Low	61	Low	40 Å²	40	96.2 Å²	96.2	19%	0.187	45%	0.453	C	S	.	.			trans	-84.6	114.7	-179.9	-168.4	163.9	4.2	0	0	106.7	K243 N356 K360	K243-Q358 VanDerWaalsContact CD-NE2 3.28Å; K243-Q358 VanDerWaalsContact CE-NE2 3.25Å; N356-Q358 VanDerWaalsContact C-N 3.3Å; N356-Q358 PolarHBondContact O-N 2.77Å; Q358-K360 PolarHBondContact O-N 2.84Å
359	S	67.8	Low	63.3	Low	23 Å²	23	90.8 Å²	90.8	16%	0.161	42%	0.42	C	S	.	.			trans	-50.3	124.1	-179.9	-57.8	0	0	0	0	110.4	W240 W357 A361 P527	W240-S359 PolarHBondContact NE1-O 3.5Å; W357-S359 PolarHBondContact O-N 3.1Å; S359-A361 VanDerWaalsContact C-N 3.32Å; S359-P527 VanDerWaalsContact CB-O 3.25Å; S359-P527 WeakPolarHBondContact CB-O 3.5Å; S359-P527 PolarHBondContact OG-O 2.87Å; S359-P527 VanDerWaalsContact OG-O 3.14Å
360	K	82.1	Confident	66.2	Low	68 Å²	68	85.1 Å²	85.1	30%	0.296	39%	0.391	S	S	.	.	S	Bend	trans	-82.1	-17.3	179.1	-62.4	169.4	177.2	-171.7	0	112.5	W240 W244 Q358 L504 Q505 A507 V511	W240-K360 WeakPolarHBondContact CZ2-O 3.14Å; W244-K360 HydrophobicContact CH2-CG 4.39Å; W244-K360 HydrophobicContact CZ2-CB 4.39Å; W244-K360 HydrophobicContact CZ2-CG 4.27Å; Q358-K360 PolarHBondContact O-N 2.84Å; K360-L504 WeakPolarHBondContact CD-O 3.28Å; K360-L504 PolarHBondContact NZ-O 3.47Å; K360-Q505 PolarHBondContact NZ-O 3.38Å; K360-A507 HydrophobicContact CD-CB 4.29Å; K360-A507 VanDerWaalsContact CD-O 3.27Å; K360-A507 WeakPolarHBondContact CD-O 3.19Å; K360-A507 WeakPolarHBondContact CE-O 3.23Å; K360-A507 PolarHBondContact NZ-O 3.05Å; K360-V511 PolarHBondContact O-N 3.04Å
361	A	90.1	Very high	69.1	Low	2 Å²	2	77 Å²	77	2%	0.017	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	141.6	179.2	0	0	0	0	0	111.6	S359 L504 V511 L513 A528 Y529	S359-A361 VanDerWaalsContact C-N 3.32Å; A361-L504 HydrophobicContact CB-CD1 4.08Å; A361-L504 HydrophobicContact CB-CD2 3.84Å; A361-V511 CarbonylContact C-O 3.52Å; A361-V511 VanDerWaalsContact CA-O 3.29Å; A361-V511 WeakPolarHBondContact CA-O 3.44Å; A361-L513 HydrophobicContact CB-CD1 4.23Å; A361-A528 HydrophobicContact CB-CB 3.66Å; A361-A528 WeakPolarHBondContact O-CA 3.31Å; A361-Y529 PolarHBondContact O-N 3.09Å; A361-Y529 VanDerWaalsContact O-N 3.08Å
362	F	93.2	Very high	72	Confident	3 Å²	3	66.2 Å²	66.2	1%	0.013	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	123.6	170.4	-151.6	-70	0	0	0	108.5	K236 L237 W240 L364 V511 I512 L513 Y529 C531	K236-F362 HydrophobicContact CB-CZ 4.36Å; L237-F362 HydrophobicContact CB-CE1 3.95Å; L237-F362 HydrophobicContact CB-CE2 4.27Å; L237-F362 HydrophobicContact CB-CZ 3.76Å; L237-F362 HydrophobicContact CD1-CB 4.37Å; L237-F362 HydrophobicContact CD1-CD1 3.8Å; L237-F362 HydrophobicContact CD1-CD2 3.91Å; L237-F362 HydrophobicContact CD1-CE1 3.97Å; L237-F362 HydrophobicContact CD1-CE2 4.09Å; L237-F362 HydrophobicContact CD1-CG 3.76Å; L237-F362 HydrophobicContact CD1-CZ 4.12Å; L237-F362 HydrophobicContact CG-CE1 4.44Å; W240-F362 HydrophobicContact CB-CD2 4.21Å; W240-F362 HydrophobicContact CB-CE2 4.01Å; W240-F362 AromaticContact CD2-CD2 3.61Å; W240-F362 HydrophobicContact CD2-CD2 3.61Å; W240-F362 HydrophobicContact CD2-CE2 4.31Å; W240-F362 HydrophobicContact CE3-CB 4.17Å; W240-F362 AromaticContact CE3-CD2 3.72Å; W240-F362 HydrophobicContact CE3-CD2 3.72Å; W240-F362 HydrophobicContact CE3-CG 4.26Å; W240-F362 AromaticContact CG-CD2 3.85Å; W240-F362 HydrophobicContact CG-CD2 3.85Å; W240-F362 HydrophobicContact CG-CE2 4.11Å; W240-F362 HydrophobicContact CH2-CB 3.84Å; W240-F362 HydrophobicContact CZ2-CB 4.24Å; W240-F362 HydrophobicContact CZ3-CB 3.8Å; W240-F362 HydrophobicContact CZ3-CD2 4.24Å; W240-F362 HydrophobicContact CZ3-CG 4.38Å; F362-L364 HydrophobicContact CD1-CD2 3.96Å; F362-L364 HydrophobicContact CE1-CD2 3.81Å; F362-V511 PolarHBondContact N-O 3.04Å; F362-I512 HydrophobicContact CB-CG1 4.39Å; F362-I512 CarbonylContact O-C 3.58Å; F362-I512 VanDerWaalsContact O-CA 3.27Å; F362-I512 WeakPolarHBondContact O-CA 3.49Å; F362-L513 PolarHBondContact O-N 3.41Å; F362-Y529 CarbonylContact C-O 3.5Å; F362-Y529 WeakPolarHBondContact CA-O 3.44Å; F362-Y529 VanDerWaalsContact CD2-CB 3.5Å; F362-Y529 HydrophobicContact CD2-CD2 4.12Å; F362-Y529 HydrophobicContact CD2-CG 4.11Å; F362-Y529 HydrophobicContact CE2-CD2 4.39Å; F362-Y529 HydrophobicContact CE2-CG 4.07Å; F362-C531 HydrophobicContact CE1-CB 3.76Å; F362-C531 WeakPolarHBondContact CE1-SG 3.45Å; F362-C531 HydrophobicContact CZ-CB 4.45Å; F362-C531 WeakPolarHBondContact CZ-SG 3.4Å
363	L	94.5	Very high	75	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	124.1	-178.9	176	66.3	0	0	0	109.8	V365 V486 L513 A515 V520 V521 L524 Y529 I530 C531	L363-V365 HydrophobicContact CD1-CG2 4.2Å; L363-V365 HydrophobicContact CD2-CG2 3.57Å; L363-V365 HydrophobicContact CG-CG2 3.56Å; L363-V486 HydrophobicContact CD1-CG2 4.38Å; L363-L513 CarbonylContact C-O 3.46Å; L363-L513 WeakPolarHBondContact CA-O 3.33Å; L363-L513 HydrophobicContact CB-CB 4.32Å; L363-L513 HydrophobicContact CB-CD1 4.46Å; L363-L513 HydrophobicContact CD1-CB 3.48Å; L363-L513 VanDerWaalsContact CD1-CB 3.48Å; L363-L513 HydrophobicContact CG-CB 4.5Å; L363-A515 HydrophobicContact CD1-CB 4.13Å; L363-V520 HydrophobicContact CD2-CG1 4.33Å; L363-V521 HydrophobicContact CD2-CG2 3.9Å; L363-L524 HydrophobicContact CD2-CD1 3.84Å; L363-L524 HydrophobicContact CD2-CD2 4.47Å; L363-L524 HydrophobicContact CD2-CG 4.4Å; L363-Y529 PolarHBondContact N-O 2.99Å; L363-I530 HydrophobicContact CB-CG1 4.46Å; L363-I530 HydrophobicContact CD2-CG1 4.48Å; L363-I530 HydrophobicContact CD2-CG2 4.49Å; L363-I530 WeakPolarHBondContact O-CA 3.49Å; L363-C531 PolarHBondContact O-N 2.88Å
364	L	94.5	Very high	77.8	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	114.7	170.1	-53.3	174.8	0	0	0	108.5	L237 F362 K372 I376 I512 L513 T514 A515 C531 F533	L237-L364 HydrophobicContact CD2-CD1 4.13Å; L237-L364 HydrophobicContact CD2-CD2 4.05Å; F362-L364 HydrophobicContact CD1-CD2 3.96Å; F362-L364 HydrophobicContact CE1-CD2 3.81Å; L364-K372 HydrophobicContact CB-CB 4.43Å; L364-I376 HydrophobicContact CD1-CD1 3.59Å; L364-I376 HydrophobicContact CD1-CG1 3.65Å; L364-I512 HydrophobicContact CD1-CG2 4.35Å; L364-I512 HydrophobicContact CG-CG2 4.45Å; L364-L513 PolarHBondContact N-O 3.38Å; L364-T514 HydrophobicContact CB-CG2 4.5Å; L364-T514 HydrophobicContact CD1-CG2 4.45Å; L364-T514 CarbonylContact O-C 3.51Å; L364-T514 WeakPolarHBondContact O-CA 3.39Å; L364-A515 PolarHBondContact O-N 2.93Å; L364-C531 WeakPolarHBondContact CA-O 3.09Å; L364-C531 HydrophobicContact CD2-CB 3.88Å; L364-F533 HydrophobicContact CB-CD2 4.36Å; L364-F533 HydrophobicContact CB-CE2 4.23Å; L364-F533 HydrophobicContact CD1-CE2 4.48Å; L364-F533 HydrophobicContact CD2-CD2 4.38Å; L364-F533 HydrophobicContact CD2-CE2 3.56Å; L364-F533 HydrophobicContact CD2-CZ 4.21Å; L364-F533 HydrophobicContact CG-CE2 4.29Å
365	V	92.3	Very high	80.7	Confident	4 Å²	4	39 Å²	39	2%	0.024	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	136.9	-179.8	-177.4	0	0	0	0	108.9	L363 A515 V521 I530 C531 H532 F533	L363-V365 HydrophobicContact CD1-CG2 4.2Å; L363-V365 HydrophobicContact CD2-CG2 3.57Å; L363-V365 HydrophobicContact CG-CG2 3.56Å; V365-A515 VanDerWaalsContact CA-O 3.31Å; V365-A515 WeakPolarHBondContact CA-O 3.3Å; V365-V521 HydrophobicContact CG2-CG2 4.25Å; V365-I530 HydrophobicContact CG2-CG2 4.19Å; V365-C531 PolarHBondContact N-O 3.49Å; V365-H532 CarbonylContact O-C 3.58Å; V365-H532 VanDerWaalsContact O-CA 3.28Å; V365-H532 WeakPolarHBondContact O-CA 3.35Å; V365-F533 PolarHBondContact O-N 3.28Å
366	G	90.3	Very high	83.1	Confident	7 Å²	7	34.3 Å²	34.3	7%	0.072	18%	0.176	C	C	.	.			trans	160.2	176.1	168.4	0	0	0	0	0	112.8	K372 A515 S516 F533	G366-K372 PolarHBondContact O-NZ 3.46Å; G366-A515 PolarHBondContact N-O 2.81Å; G366-A515 VanDerWaalsContact N-O 3.12Å; G366-S516 VanDerWaalsContact O-CA 3.26Å; G366-S516 WeakPolarHBondContact O-CA 3.26Å; G366-F533 WeakPolarHBondContact CA-O 3.05Å
367	P	87.1	Confident	85.6	Confident	47 Å²	47	30.3 Å²	30.3	31%	0.305	15%	0.152	S	C	.	.			trans	-58.3	166.5	-173.8	-26.6	35.9	0	0	0	115.2	T370 K372 F533 H582	P367-T370 HydrophobicContact CB-CG2 4.08Å; P367-T370 WeakPolarHBondContact O-CG2 3.41Å; P367-T370 PolarHBondContact O-OG1 2.98Å; P367-K372 PolarHBondContact O-NZ 2.84Å; P367-F533 VanDerWaalsContact CD-O 3.23Å; P367-F533 WeakPolarHBondContact CD-O 3.39Å; P367-H582 WeakPolarHBondContact CB-CE1 3.45Å; P367-H582 VanDerWaalsContact CB-ND1 3.35Å; P367-H582 WeakPolarHBondContact CB-ND1 3.42Å
368	H	85.7	Confident	88	Confident	34 Å²	34	17.8 Å²	17.8	16%	0.157	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	163.2	173.8	-59.6	-76.4	0	0	0	111	T370 S516 H582	H368-T370 PolarHBondContact O-N 3.13Å; H368-S516 PolarHBondContact CE1-OG 3.28Å; H368-S516 PolarHBondContact ND1-OG 3.12Å; H368-H582 PolarHBondContact O-CE1 3.15Å; H368-H582 PolarHBondContact O-NE2 3.14Å
369	G	87.3	Confident	89.5	Confident	12 Å²	12	15.9 Å²	15.9	12%	0.124	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	-10.4	179.5	0	0	0	0	0	118.2	G371 D584	G369-G371 PolarHBondContact O-N 3.46Å; G369-D584 VanDerWaalsContact CA-CG 3.48Å; G369-D584 WeakPolarHBondContact CA-OD1 3.48Å
370	T	89	Confident	90.6	Very high	11 Å²	11	14.9 Å²	14.9	7%	0.067	9%	0.089	C	C	.	.	S	Bend	trans	-74.6	-4	-177.2	56.2	0	0	0	0	114.5	P367 H368	P367-T370 HydrophobicContact CB-CG2 4.08Å; P367-T370 WeakPolarHBondContact O-CG2 3.41Å; P367-T370 PolarHBondContact O-OG1 2.98Å; H368-T370 PolarHBondContact O-N 3.13Å
371	G	90.1	Very high	90.9	Very high	20 Å²	20	16.9 Å²	16.9	21%	0.206	10%	0.097	C	C	.	.			trans	85.8	16.1	174.5	0	0	0	0	0	116	F227 G369 S373 A374 L375	F227-G371 VanDerWaalsContact CE2-O 3.26Å; F227-G371 WeakPolarHBondContact CE2-O 3.21Å; F227-G371 WeakPolarHBondContact CZ-O 3.28Å; G369-G371 PolarHBondContact O-N 3.46Å; G371-S373 PolarHBondContact O-N 3.35Å; G371-A374 PolarHBondContact O-N 3.37Å; G371-L375 WeakPolarHBondContact O-CB 3.4Å; G371-L375 PolarHBondContact O-N 3.28Å
372	K	91.7	Very high	90.9	Very high	14 Å²	14	19.7 Å²	19.7	6%	0.061	11%	0.112	C	C	.	.	H	α-helix	trans	-45.4	-57.2	178.5	-55.5	-176.5	-63.2	-86.5	0	113.2	L364 G366 P367 I376 T514 A515 S516 F533	L364-K372 HydrophobicContact CB-CB 4.43Å; G366-K372 PolarHBondContact O-NZ 3.46Å; P367-K372 PolarHBondContact O-NZ 2.84Å; K372-I376 WeakPolarHBondContact O-CD1 3.37Å; K372-I376 WeakPolarHBondContact O-CG1 3.23Å; K372-I376 PolarHBondContact O-N 3.14Å; K372-T514 HydrophobicContact CB-CG2 4.3Å; K372-A515 WeakPolarHBondContact CD-O 3.31Å; K372-A515 VanDerWaalsContact CE-O 3.25Å; K372-A515 WeakPolarHBondContact CE-O 3.4Å; K372-S516 PolarHBondContact NZ-OG 2.93Å; K372-F533 HydrophobicContact CG-CB 4.28Å; K372-F533 HydrophobicContact CG-CD1 4.08Å; K372-F533 HydrophobicContact CG-CG 4.03Å
373	S	91.5	Very high	90.7	Very high	21 Å²	21	20.3 Å²	20.3	15%	0.147	12%	0.116	C	C	.	.	H	α-helix	trans	-70.7	-40.7	-179.2	-39	0	0	0	0	111.4	G371 L375 I376 Y377 D484	G371-S373 PolarHBondContact O-N 3.35Å; S373-L375 VanDerWaalsContact C-N 3.31Å; S373-L375 PolarHBondContact O-N 3.01Å; S373-I376 WeakPolarHBondContact O-CB 3.31Å; S373-I376 PolarHBondContact O-N 3.35Å; S373-I376 VanDerWaalsContact O-N 3.12Å; S373-Y377 WeakPolarHBondContact O-CD2 3.4Å; S373-Y377 PolarHBondContact O-N 3.33Å; S373-Y377 VanDerWaalsContact O-N 3.11Å; S373-D484 PolarHBondContact OG-OD1 3.32Å
374	A	91.5	Very high	90.3	Very high	20 Å²	20	23 Å²	23	17%	0.165	14%	0.143	C	C	.	.	H	α-helix	trans	-60.3	-38.4	178.1	0	0	0	0	0	112.5	M220 P221 F227 G371 Y377 A378	M220-A374 HydrophobicContact CG-CB 4.38Å; P221-A374 HydrophobicContact CG-CB 3.97Å; F227-A374 HydrophobicContact CE2-CB 4.42Å; G371-A374 PolarHBondContact O-N 3.37Å; A374-Y377 PolarHBondContact O-N 3.29Å; A374-A378 WeakPolarHBondContact O-CB 3.48Å; A374-A378 PolarHBondContact O-N 2.9Å
375	L	92.9	Very high	89.9	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.2	-42.7	174.9	179.9	66.5	0	0	0	111.9	F227 I234 L237 G371 S373 Y377 A378 L379 F533	F227-L375 HydrophobicContact CB-CD1 4.47Å; F227-L375 HydrophobicContact CD1-CD1 4.14Å; F227-L375 HydrophobicContact CD2-CB 4.07Å; F227-L375 HydrophobicContact CD2-CD1 4.07Å; F227-L375 HydrophobicContact CE1-CB 4.41Å; F227-L375 HydrophobicContact CE1-CD1 4.39Å; F227-L375 HydrophobicContact CE2-CB 3.61Å; F227-L375 HydrophobicContact CE2-CD1 4.37Å; F227-L375 HydrophobicContact CG-CD1 3.96Å; F227-L375 HydrophobicContact CZ-CB 3.79Å; I234-L375 HydrophobicContact CB-CD2 4.35Å; I234-L375 HydrophobicContact CG1-CD2 3.79Å; I234-L375 HydrophobicContact CG2-CD1 3.92Å; I234-L375 HydrophobicContact CG2-CD2 4.13Å; L237-L375 HydrophobicContact CD2-CD2 4.14Å; G371-L375 WeakPolarHBondContact O-CB 3.4Å; G371-L375 PolarHBondContact O-N 3.28Å; S373-L375 VanDerWaalsContact C-N 3.31Å; S373-L375 PolarHBondContact O-N 3.01Å; L375-Y377 VanDerWaalsContact C-N 3.3Å; L375-Y377 PolarHBondContact O-N 3.3Å; L375-A378 PolarHBondContact O-N 3.48Å; L375-L379 HydrophobicContact CD1-CD1 3.95Å; L375-L379 HydrophobicContact CD1-CG 3.93Å; L375-L379 HydrophobicContact CD2-CD1 4.23Å; L375-L379 HydrophobicContact CG-CD1 3.77Å; L375-L379 HydrophobicContact CG-CG 4.16Å; L375-L379 WeakPolarHBondContact O-CB 3.27Å; L375-L379 WeakPolarHBondContact O-CG 3.48Å; L375-L379 PolarHBondContact O-N 3.17Å; L375-F533 HydrophobicContact CD2-CE1 4.05Å; L375-F533 HydrophobicContact CD2-CZ 3.52Å
376	I	92.9	Very high	89.7	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.3	-44.9	179.2	-65	156.7	0	0	0	109.8	L364 K372 S373 A380 I387 L482 I512 T514	L364-I376 HydrophobicContact CD1-CD1 3.59Å; L364-I376 HydrophobicContact CD1-CG1 3.65Å; K372-I376 WeakPolarHBondContact O-CD1 3.37Å; K372-I376 WeakPolarHBondContact O-CG1 3.23Å; K372-I376 PolarHBondContact O-N 3.14Å; S373-I376 WeakPolarHBondContact O-CB 3.31Å; S373-I376 PolarHBondContact O-N 3.35Å; S373-I376 VanDerWaalsContact O-N 3.12Å; I376-A380 WeakPolarHBondContact O-CB 3.38Å; I376-A380 PolarHBondContact O-N 3.11Å; I376-I387 HydrophobicContact CG2-CD1 4.04Å; I376-L482 HydrophobicContact CD1-CD1 3.58Å; I376-L482 HydrophobicContact CD1-CD2 4.36Å; I376-L482 HydrophobicContact CG2-CD1 4.49Å; I376-L482 HydrophobicContact CG2-CD2 4.13Å; I376-I512 HydrophobicContact CD1-CG2 3.69Å; I376-I512 HydrophobicContact CG1-CD1 4.38Å; I376-I512 HydrophobicContact CG1-CG2 4.05Å; I376-I512 HydrophobicContact CG2-CD1 4.13Å; I376-T514 HydrophobicContact CD1-CG2 3.4Å; I376-T514 VanDerWaalsContact CD1-CG2 3.4Å
377	Y	92.5	Very high	89.5	Confident	47 Å²	47	25.7 Å²	25.7	18%	0.184	15%	0.153	C	C	.	.	H	α-helix	trans	-61.1	-46.3	175.3	-79.7	-66.1	0	0	0	112.5	S373 A374 L375 A380 K381 I387 E389 I429 L482	S373-Y377 WeakPolarHBondContact O-CD2 3.4Å; S373-Y377 PolarHBondContact O-N 3.33Å; S373-Y377 VanDerWaalsContact O-N 3.11Å; A374-Y377 PolarHBondContact O-N 3.29Å; L375-Y377 VanDerWaalsContact C-N 3.3Å; L375-Y377 PolarHBondContact O-N 3.3Å; Y377-A380 PolarHBondContact O-N 3.19Å; Y377-K381 WeakPolarHBondContact O-CB 3.39Å; Y377-K381 PolarHBondContact O-N 2.98Å; Y377-I387 HydrophobicContact CD1-CD1 3.32Å; Y377-I387 HydrophobicContact CE1-CB 4.23Å; Y377-I387 HydrophobicContact CE1-CD1 3.41Å; Y377-I387 VanDerWaalsContact CE1-CD1 3.41Å; Y377-I387 HydrophobicContact CE1-CG1 4.42Å; Y377-I387 HydrophobicContact CE1-CG2 4.22Å; Y377-I387 HydrophobicContact CG-CD1 4.04Å; Y377-E389 PolarHBondContact OH-OE2 2.92Å; Y377-I429 HydrophobicContact CD1-CD1 4.46Å; Y377-I429 HydrophobicContact CE1-CB 4.44Å; Y377-I429 HydrophobicContact CE1-CD1 3.57Å; Y377-L482 HydrophobicContact CE2-CD2 4.3Å
378	A	91	Very high	89.4	Confident	1 Å²	1	24.3 Å²	24.3	1%	0.008	14%	0.142	C	C	.	.	H	α-helix	trans	-61.1	-48.6	177.5	0	0	0	0	0	112.2	A374 L375 K381 D382	A374-A378 WeakPolarHBondContact O-CB 3.48Å; A374-A378 PolarHBondContact O-N 2.9Å; L375-A378 PolarHBondContact O-N 3.48Å; A378-K381 PolarHBondContact O-N 3.2Å; A378-D382 WeakPolarHBondContact O-CB 3.46Å; A378-D382 VanDerWaalsContact O-CG 3.31Å; A378-D382 PolarHBondContact O-N 3.09Å
379	L	91.9	Very high	89.5	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-66.2	-40.1	178.5	-75	175.7	0	0	0	112.4	C224 L237 L238 L241 L375 K381 D382 L383	C224-L379 HydrophobicContact CB-CD2 3.85Å; L237-L379 HydrophobicContact CB-CD1 4.42Å; L237-L379 HydrophobicContact CD2-CD1 3.56Å; L237-L379 HydrophobicContact CG-CD1 3.76Å; L238-L379 HydrophobicContact CB-CD2 4.11Å; L238-L379 HydrophobicContact CD1-CD2 3.62Å; L238-L379 HydrophobicContact CG-CD2 4.36Å; L241-L379 HydrophobicContact CD1-CB 4.08Å; L241-L379 HydrophobicContact CD1-CD1 4.31Å; L375-L379 HydrophobicContact CD1-CD1 3.95Å; L375-L379 HydrophobicContact CD1-CG 3.93Å; L375-L379 HydrophobicContact CD2-CD1 4.23Å; L375-L379 HydrophobicContact CG-CD1 3.77Å; L375-L379 HydrophobicContact CG-CG 4.16Å; L375-L379 WeakPolarHBondContact O-CB 3.27Å; L375-L379 WeakPolarHBondContact O-CG 3.48Å; L375-L379 PolarHBondContact O-N 3.17Å; L379-K381 VanDerWaalsContact C-N 3.32Å; L379-D382 PolarHBondContact O-N 3.09Å; L379-L383 VanDerWaalsContact O-CB 3.29Å; L379-L383 WeakPolarHBondContact O-CB 3.36Å; L379-L383 WeakPolarHBondContact O-CG 3.11Å; L379-L383 PolarHBondContact O-N 3.16Å
380	A	91.5	Very high	89.4	Confident	2 Å²	2	23.3 Å²	23.3	2%	0.017	13%	0.134	C	C	.	.	H	α-helix	trans	-62.3	-43.4	176.2	0	0	0	0	0	110.7	I376 Y377 L383 G384 F385 I387 I480	I376-A380 WeakPolarHBondContact O-CB 3.38Å; I376-A380 PolarHBondContact O-N 3.11Å; Y377-A380 PolarHBondContact O-N 3.19Å; A380-L383 CarbonylContact O-C 3.58Å; A380-L383 PolarHBondContact O-N 3.06Å; A380-G384 CarbonylContact O-C 3.55Å; A380-G384 WeakPolarHBondContact O-CA 3.33Å; A380-G384 PolarHBondContact O-N 3.39Å; A380-F385 HydrophobicContact CB-CB 4.06Å; A380-F385 PolarHBondContact O-N 2.69Å; A380-I387 HydrophobicContact CB-CD1 3.39Å; A380-I387 HydrophobicContact CB-CG1 3.61Å; A380-I480 HydrophobicContact CB-CD1 4Å
381	K	87.5	Confident	89.1	Confident	109 Å²	109	24.2 Å²	24.2	47%	0.474	14%	0.138	S	C	.	.	H	α-helix	trans	-62.9	-50.2	175.2	-179	173.4	160	-151.1	0	111.8	S222 Y377 A378 L379 L383 G384	S222-K381 VanDerWaalsContact CB-NZ 3.35Å; S222-K381 VanDerWaalsContact O-CD 3.29Å; S222-K381 WeakPolarHBondContact O-CD 3.46Å; S222-K381 WeakPolarHBondContact O-CE 3.26Å; S222-K381 PolarHBondContact O-NZ 2.87Å; S222-K381 PolarHBondContact OG-NZ 3.36Å; Y377-K381 WeakPolarHBondContact O-CB 3.39Å; Y377-K381 PolarHBondContact O-N 2.98Å; A378-K381 PolarHBondContact O-N 3.2Å; L379-K381 VanDerWaalsContact C-N 3.32Å; K381-L383 PolarHBondContact O-N 2.81Å; K381-G384 PolarHBondContact O-N 2.87Å; K381-G384 VanDerWaalsContact O-N 3.14Å
382	D	89.3	Confident	88.5	Confident	62 Å²	62	23.5 Å²	23.5	33%	0.332	13%	0.13	S	C	.	.	H	α-helix	trans	-57.5	-38.3	179	-75.9	-14.4	0	0	0	112.6	S223 C224 A378 L379	S223-D382 WeakPolarHBondContact CA-OD1 3.24Å; S223-D382 WeakPolarHBondContact CB-OD1 3.47Å; S223-D382 VanDerWaalsContact OG-CG 3.24Å; S223-D382 PolarHBondContact OG-OD1 3.36Å; S223-D382 PolarHBondContact OG-OD2 2.92Å; S223-D382 VanDerWaalsContact OG-OD2 3.05Å; C224-D382 WeakPolarHBondContact CB-OD2 3.42Å; C224-D382 PolarHBondContact N-OD2 3.35Å; A378-D382 WeakPolarHBondContact O-CB 3.46Å; A378-D382 VanDerWaalsContact O-CG 3.31Å; A378-D382 PolarHBondContact O-N 3.09Å; L379-D382 PolarHBondContact O-N 3.09Å
383	L	89.2	Confident	87.6	Confident	16 Å²	16	25 Å²	25	8%	0.084	14%	0.142	C	C	.	.	H	α-helix	trans	-95	-1.3	-178	-63.2	178.3	0	0	0	113.3	L238 L241 K242 K245 L379 A380 K381 F385	L238-L383 HydrophobicContact CD1-CD1 4.12Å; L238-L383 HydrophobicContact CD1-CD2 4.3Å; L238-L383 HydrophobicContact CD1-CG 4.42Å; L241-L383 HydrophobicContact CB-CD1 3.49Å; L241-L383 VanDerWaalsContact CB-CD1 3.49Å; L241-L383 HydrophobicContact CD1-CD1 4.23Å; K242-L383 HydrophobicContact CG-CD1 4.39Å; K242-L383 HydrophobicContact CG-CD2 3.88Å; K245-L383 WeakPolarHBondContact CD-O 3.4Å; K245-L383 WeakPolarHBondContact CE-O 3.23Å; K245-L383 PolarHBondContact NZ-O 3.09Å; L379-L383 VanDerWaalsContact O-CB 3.29Å; L379-L383 WeakPolarHBondContact O-CB 3.36Å; L379-L383 WeakPolarHBondContact O-CG 3.11Å; L379-L383 PolarHBondContact O-N 3.16Å; A380-L383 CarbonylContact O-C 3.58Å; A380-L383 PolarHBondContact O-N 3.06Å; K381-L383 PolarHBondContact O-N 2.81Å; L383-F385 HydrophobicContact CB-CD2 3.54Å; L383-F385 HydrophobicContact CB-CE2 3.68Å; L383-F385 HydrophobicContact CD1-CD2 4.37Å; L383-F385 HydrophobicContact CD1-CE2 3.99Å
384	G	86	Confident	86.8	Confident	55 Å²	55	24.6 Å²	24.6	57%	0.567	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.4	32	-179.7	0	0	0	0	0	114.5	A380 K381	A380-G384 CarbonylContact O-C 3.55Å; A380-G384 WeakPolarHBondContact O-CA 3.33Å; A380-G384 PolarHBondContact O-N 3.39Å; K381-G384 PolarHBondContact O-N 2.87Å; K381-G384 VanDerWaalsContact O-N 3.14Å
385	F	87.8	Confident	86.2	Confident	13 Å²	13	29.3 Å²	29.3	6%	0.057	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-85.1	142.1	169.5	-73.1	-93.2	0	0	0	111.2	L241 W244 K245 A380 L383 N478 I480 P510	L241-F385 HydrophobicContact CB-CE2 4.3Å; W244-F385 HydrophobicContact CB-CZ 4.4Å; K245-F385 HydrophobicContact CB-CE2 4.1Å; K245-F385 HydrophobicContact CB-CZ 3.81Å; K245-F385 HydrophobicContact CD-CE2 4.49Å; A380-F385 HydrophobicContact CB-CB 4.06Å; A380-F385 PolarHBondContact O-N 2.69Å; L383-F385 HydrophobicContact CB-CD2 3.54Å; L383-F385 HydrophobicContact CB-CE2 3.68Å; L383-F385 HydrophobicContact CD1-CD2 4.37Å; L383-F385 HydrophobicContact CD1-CE2 3.99Å; F385-N478 CarbonylContact C-O 3.31Å; F385-N478 VanDerWaalsContact CA-O 3.29Å; F385-N478 WeakPolarHBondContact CA-O 3.46Å; F385-N478 HydrophobicContact CD1-CB 3.62Å; F385-N478 HydrophobicContact CE1-CB 3.7Å; F385-N478 HydrophobicContact CG-CB 4.23Å; F385-N478 HydrophobicContact CZ-CB 4.37Å; F385-I480 HydrophobicContact CB-CD1 3.56Å; F385-I480 HydrophobicContact CB-CG1 3.85Å; F385-I480 HydrophobicContact CD1-CD1 4.03Å; F385-I480 HydrophobicContact CD1-CG1 3.64Å; F385-I480 HydrophobicContact CD2-CD1 4.08Å; F385-I480 HydrophobicContact CE1-CG1 4.32Å; F385-I480 HydrophobicContact CG-CD1 3.65Å; F385-I480 HydrophobicContact CG-CG1 3.8Å; F385-P510 HydrophobicContact CE1-CG 4.22Å
386	K	86.2	Confident	85.8	Confident	50 Å²	50	29.3 Å²	29.3	22%	0.217	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	135.3	164.9	-64.6	-177.7	177.4	173.7	0	110	T430 C477 N478 S479 I480	K386-T430 HydrophobicContact CD-CG2 3.94Å; K386-T430 HydrophobicContact CG-CG2 4.17Å; K386-C477 HydrophobicContact CD-CB 4.04Å; K386-C477 PolarHBondContact NZ-SG 3.28Å; K386-N478 PolarHBondContact N-O 3.48Å; K386-S479 CarbonylContact O-C 3.56Å; K386-S479 WeakPolarHBondContact O-CA 3.4Å; K386-S479 WeakPolarHBondContact O-CB 3.49Å; K386-I480 PolarHBondContact O-N 3.35Å
387	I	87.9	Confident	85.5	Confident	6 Å²	6	29.6 Å²	29.6	3%	0.031	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	133.7	178.7	-65.9	166.2	0	0	0	110.2	I376 Y377 A380 E389 I480 L482	I376-I387 HydrophobicContact CG2-CD1 4.04Å; Y377-I387 HydrophobicContact CD1-CD1 3.32Å; Y377-I387 HydrophobicContact CE1-CB 4.23Å; Y377-I387 HydrophobicContact CE1-CD1 3.41Å; Y377-I387 VanDerWaalsContact CE1-CD1 3.41Å; Y377-I387 HydrophobicContact CE1-CG1 4.42Å; Y377-I387 HydrophobicContact CE1-CG2 4.22Å; Y377-I387 HydrophobicContact CG-CD1 4.04Å; A380-I387 HydrophobicContact CB-CD1 3.39Å; A380-I387 HydrophobicContact CB-CG1 3.61Å; I387-E389 HydrophobicContact CG2-CB 4.26Å; I387-I480 WeakPolarHBondContact CA-O 3.16Å; I387-I480 HydrophobicContact CG1-CB 4.43Å; I387-L482 HydrophobicContact CG2-CB 3.81Å; I387-L482 HydrophobicContact CG2-CD2 4.17Å
388	F	84.3	Confident	85.2	Confident	17 Å²	17	27.7 Å²	27.7	8%	0.075	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	96.7	165.7	-62.4	-65.3	0	0	0	108.5	F426 M428 S479 I480 L482	F388-F426 HydrophobicContact CB-CD1 4.31Å; F388-F426 HydrophobicContact CB-CE1 4.32Å; F388-M428 HydrophobicContact CD1-CG 4.04Å; F388-M428 HydrophobicContact CD1-SD 4.48Å; F388-M428 HydrophobicContact CE1-CG 3.74Å; F388-M428 HydrophobicContact CE1-SD 3.61Å; F388-M428 HydrophobicContact CZ-SD 4.27Å; F388-S479 VanDerWaalsContact CE2-CB 3.44Å; F388-S479 VanDerWaalsContact CE2-OG 3.24Å; F388-S479 WeakPolarHBondContact CE2-OG 3.25Å; F388-I480 PolarHBondContact N-O 3Å; F388-L482 PolarHBondContact O-N 3.12Å
389	E	87.9	Confident	84.9	Confident	23 Å²	23	36.2 Å²	36.2	11%	0.107	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	135.8	-177.5	-171.4	-167.3	145.3	0	0	112.6	Y377 I387 N391 F426 L482 D484	Y377-E389 PolarHBondContact OH-OE2 2.92Å; I387-E389 HydrophobicContact CG2-CB 4.26Å; E389-N391 WeakPolarHBondContact OE1-CB 3.27Å; E389-N391 PolarHBondContact OE1-ND2 2.94Å; E389-F426 WeakPolarHBondContact O-CD1 3.45Å; E389-F426 WeakPolarHBondContact O-CE1 3.26Å; E389-L482 CarbonylContact C-O 3.6Å; E389-L482 VanDerWaalsContact CA-O 3.3Å; E389-L482 WeakPolarHBondContact CA-O 3.43Å; E389-L482 HydrophobicContact CB-CB 4.46Å; E389-L482 HydrophobicContact CB-CD2 4.46Å; E389-L482 HydrophobicContact CG-CB 4.5Å; E389-L482 HydrophobicContact CG-CD2 4.04Å; E389-L482 HydrophobicContact CG-CG 4.16Å; E389-D484 HydrophobicContact CG-CB 4.34Å
390	L	85.1	Confident	84.5	Confident	3 Å²	3	38.3 Å²	38.3	2%	0.016	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	104.6	156.2	-74.1	101.5	0	0	0	111.7	R396 F405 F426 L482 F483 D484	L390-R396 HydrophobicContact CB-CG 4.33Å; L390-R396 HydrophobicContact CD2-CG 3.96Å; L390-R396 PolarHBondContact O-NH1 2.91Å; L390-R396 VanDerWaalsContact O-NH1 3.12Å; L390-F405 HydrophobicContact CD1-CE1 4.46Å; L390-F405 HydrophobicContact CD1-CE2 3.23Å; L390-F405 HydrophobicContact CD1-CZ 3.16Å; L390-F405 HydrophobicContact CD2-CE2 4.47Å; L390-F405 HydrophobicContact CG-CE2 4.44Å; L390-F426 HydrophobicContact CD1-CE1 3.53Å; L390-F426 HydrophobicContact CD1-CZ 3.56Å; L390-F426 HydrophobicContact CD2-CZ 4.18Å; L390-F426 HydrophobicContact CG-CE1 3.78Å; L390-F426 HydrophobicContact CG-CZ 3.71Å; L390-L482 PolarHBondContact N-O 3.43Å; L390-F483 HydrophobicContact CB-CD1 4.2Å; L390-F483 HydrophobicContact CB-CE1 4.47Å; L390-F483 HydrophobicContact CD1-CD1 4.12Å; L390-F483 HydrophobicContact CD1-CE1 3.74Å; L390-F483 HydrophobicContact CD1-CZ 3.99Å; L390-F483 HydrophobicContact CD2-CE1 4.43Å; L390-F483 HydrophobicContact CG-CE1 4.46Å; L390-D484 PolarHBondContact O-N 3.46Å
391	N	81.5	Confident	84.2	Confident	30 Å²	30	38.2 Å²	38.2	16%	0.16	20%	0.197	C	C	.	.			trans	-74.8	148.1	177.4	-165.5	-81.1	0	0	0	112.2	E389 S393 S394 R396	E389-N391 WeakPolarHBondContact OE1-CB 3.27Å; E389-N391 PolarHBondContact OE1-ND2 2.94Å; N391-S393 PolarHBondContact O-N 2.91Å; N391-S393 WeakPolarHBondContact OD1-CB 3.22Å; N391-S393 PolarHBondContact OD1-N 3.1Å; N391-S393 PolarHBondContact OD1-OG 3.44Å; N391-S394 WeakPolarHBondContact O-CB 3.38Å; N391-S394 PolarHBondContact O-N 2.87Å; N391-S394 PolarHBondContact O-OG 3.5Å; N391-R396 WeakPolarHBondContact O-CD 3.49Å
392	P	78.9	Confident	83.8	Confident	4 Å²	4	36.7 Å²	36.7	3%	0.026	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-26.5	172.8	23.2	-36.6	0	0	0	115.9	S394 R396 E485 V488 R910	P392-S394 PolarHBondContact O-N 3.4Å; P392-R396 VanDerWaalsContact CB-NH2 3.35Å; P392-E485 HydrophobicContact CB-CB 4.49Å; P392-E485 HydrophobicContact CG-CB 4.11Å; P392-E485 WeakPolarHBondContact CG-OE2 3.37Å; P392-V488 HydrophobicContact CB-CB 4.28Å; P392-V488 HydrophobicContact CB-CG1 4.11Å; P392-R910 WeakPolarHBondContact O-CD 3.44Å; P392-R910 PolarHBondContact O-NH1 3.19Å
393	S	71.6	Confident	83.1	Confident	45 Å²	45	37.8 Å²	37.8	32%	0.315	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-18.1	175	59.1	0	0	0	0	114.1	N391 Y914	N391-S393 PolarHBondContact O-N 2.91Å; N391-S393 WeakPolarHBondContact OD1-CB 3.22Å; N391-S393 PolarHBondContact OD1-N 3.1Å; N391-S393 PolarHBondContact OD1-OG 3.44Å; S393-Y914 VanDerWaalsContact CB-OH 3.26Å; S393-Y914 WeakPolarHBondContact CB-OH 3.46Å; S393-Y914 PolarHBondContact OG-OH 3.4Å
394	S	75.4	Confident	82.1	Confident	14 Å²	14	38.3 Å²	38.3	10%	0.098	21%	0.207	C	C	.	.	S	Bend	trans	-88	152.8	174.2	70.4	0	0	0	0	111.1	N391 P392 R396 T425 R910	N391-S394 WeakPolarHBondContact O-CB 3.38Å; N391-S394 PolarHBondContact O-N 2.87Å; N391-S394 PolarHBondContact O-OG 3.5Å; P392-S394 PolarHBondContact O-N 3.4Å; S394-R396 WeakPolarHBondContact O-CG 3.49Å; S394-T425 VanDerWaalsContact CB-CG2 3.43Å; S394-R910 PolarHBondContact O-NH1 3.28Å
395	R	78.2	Confident	81.1	Confident	119 Å²	119	35.7 Å²	35.7	45%	0.449	18%	0.18	S	C	.	.			trans	-72.7	128.6	170.5	-176.2	-177.3	166.6	162	-0.5	109.6	D400	R395-D400 WeakPolarHBondContact CD-OD2 3.26Å; R395-D400 WeakPolarHBondContact CG-OD2 3.44Å; R395-D400 IonicContact NE-OD2 3.39Å; R395-D400 PolarHBondContact NE-OD2 2.86Å
396	R	85.6	Confident	79.9	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.206	C	C	.	.			trans	-126.5	41.6	-172.5	-57.6	-177.9	-72	175.1	5.3	111.1	L390 N391 P392 S394 I401 D484 E485 V488 D493 F496	L390-R396 HydrophobicContact CB-CG 4.33Å; L390-R396 HydrophobicContact CD2-CG 3.96Å; L390-R396 PolarHBondContact O-NH1 2.91Å; L390-R396 VanDerWaalsContact O-NH1 3.12Å; N391-R396 WeakPolarHBondContact O-CD 3.49Å; P392-R396 VanDerWaalsContact CB-NH2 3.35Å; S394-R396 WeakPolarHBondContact O-CG 3.49Å; R396-I401 WeakPolarHBondContact O-CD1 3.24Å; R396-D484 PolarHBondContact NH1-O 2.89Å; R396-E485 PolarHBondContact NH2-O 3.28Å; R396-V488 PolarHBondContact NH2-O 2.95Å; R396-D493 WeakPolarHBondContact CA-OD1 3.42Å; R396-D493 PolarHBondContact N-OD1 3.18Å; R396-F496 HydrophobicContact CB-CD2 4.02Å; R396-F496 HydrophobicContact CB-CE2 4.27Å; R396-F496 WeakPolarHBondContact O-CD2 3.4Å
397	S	86.3	Confident	78.5	Confident	6 Å²	6	41.3 Å²	41.3	4%	0.042	21%	0.211	C	C	.	.			trans	-65.5	158.1	179.2	81.1	0	0	0	0	111.5	K399 D400 I401 S492	S397-K399 PolarHBondContact O-N 2.77Å; S397-K399 VanDerWaalsContact O-N 3.15Å; S397-D400 VanDerWaalsContact CB-OD2 3.28Å; S397-D400 WeakPolarHBondContact CB-OD2 3.38Å; S397-D400 PolarHBondContact N-OD2 3.37Å; S397-D400 WeakPolarHBondContact O-CB 3.48Å; S397-D400 PolarHBondContact O-N 3.5Å; S397-D400 PolarHBondContact OG-N 3.33Å; S397-D400 PolarHBondContact OG-OD2 3.02Å; S397-I401 WeakPolarHBondContact O-CG1 3.4Å; S397-I401 PolarHBondContact O-N 3.17Å; S397-S492 WeakPolarHBondContact CB-O 3.44Å
398	G	86.7	Confident	76.9	Confident	6 Å²	6	41.2 Å²	41.2	6%	0.062	21%	0.211	C	C	.	.	H	α-helix	trans	-56.1	-36.1	-179.9	0	0	0	0	0	113.2	I402 R494 G495	G398-I402 WeakPolarHBondContact O-CB 3.48Å; G398-I402 WeakPolarHBondContact O-CD1 3.22Å; G398-I402 WeakPolarHBondContact O-CG1 3.41Å; G398-I402 PolarHBondContact O-N 2.87Å; G398-R494 PolarHBondContact N-O 3.2Å; G398-G495 WeakPolarHBondContact CA-O 3.04Å
399	K	84.6	Confident	75.6	Confident	180 Å²	180	40.9 Å²	40.9	78%	0.783	21%	0.21	S	C	*	.	H	α-helix	trans	-67.1	-40.8	174.8	-68.8	-174.7	178.9	-178.7	0	112.2	S397 S403	S397-K399 PolarHBondContact O-N 2.77Å; S397-K399 VanDerWaalsContact O-N 3.15Å; K399-S403 WeakPolarHBondContact O-CB 3.44Å; K399-S403 PolarHBondContact O-N 3.24Å
400	D	83.1	Confident	73.7	Confident	45 Å²	45	42.4 Å²	42.4	24%	0.241	23%	0.232	C	C	.	.	H	α-helix	trans	-67	-45.6	-180	-60.4	-41.4	0	0	0	110.4	R395 S397 S403 Q404	R395-D400 WeakPolarHBondContact CD-OD2 3.26Å; R395-D400 WeakPolarHBondContact CG-OD2 3.44Å; R395-D400 IonicContact NE-OD2 3.39Å; R395-D400 PolarHBondContact NE-OD2 2.86Å; S397-D400 VanDerWaalsContact CB-OD2 3.28Å; S397-D400 WeakPolarHBondContact CB-OD2 3.38Å; S397-D400 PolarHBondContact N-OD2 3.37Å; S397-D400 WeakPolarHBondContact O-CB 3.48Å; S397-D400 PolarHBondContact O-N 3.5Å; S397-D400 PolarHBondContact OG-N 3.33Å; S397-D400 PolarHBondContact OG-OD2 3.02Å; D400-S403 PolarHBondContact O-N 2.7Å; D400-Q404 VanDerWaalsContact O-CB 3.23Å; D400-Q404 WeakPolarHBondContact O-CB 3.36Å; D400-Q404 WeakPolarHBondContact O-CG 3.22Å; D400-Q404 PolarHBondContact O-N 2.86Å
401	I	84.5	Confident	72	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-57.9	-52.5	175.9	-66.4	172.9	0	0	0	110.1	R396 S397 S403 Q404 F405 F483 F496 L503	R396-I401 WeakPolarHBondContact O-CD1 3.24Å; S397-I401 WeakPolarHBondContact O-CG1 3.4Å; S397-I401 PolarHBondContact O-N 3.17Å; I401-S403 PolarHBondContact O-N 3.42Å; I401-Q404 PolarHBondContact O-N 3.37Å; I401-F405 HydrophobicContact CG2-CD2 3.88Å; I401-F405 HydrophobicContact CG2-CE2 4.32Å; I401-F405 WeakPolarHBondContact O-CB 3.36Å; I401-F405 VanDerWaalsContact O-CD2 3.27Å; I401-F405 WeakPolarHBondContact O-CD2 3.28Å; I401-F405 PolarHBondContact O-N 2.85Å; I401-F483 HydrophobicContact CD1-CE1 3.98Å; I401-F483 HydrophobicContact CG1-CE1 4.18Å; I401-F483 HydrophobicContact CG2-CE1 4.39Å; I401-F483 HydrophobicContact CG2-CZ 4.17Å; I401-F496 HydrophobicContact CD1-CD2 3.44Å; I401-F496 VanDerWaalsContact CD1-CD2 3.44Å; I401-F496 HydrophobicContact CD1-CE2 3.7Å; I401-F496 HydrophobicContact CD1-CG 4.3Å; I401-L503 HydrophobicContact CG2-CB 4.35Å; I401-L503 HydrophobicContact CG2-CD1 4.23Å; I401-L503 HydrophobicContact CG2-CD2 4.18Å
402	I	80.7	Confident	70.3	Confident	76 Å²	76	47.8 Å²	47.8	39%	0.39	26%	0.263	S	S	.	.	H	α-helix	trans	-60.9	-47.3	-179.4	-67.2	165.7	0	0	0	110.4	G398 Q404 F405 H406	G398-I402 WeakPolarHBondContact O-CB 3.48Å; G398-I402 WeakPolarHBondContact O-CD1 3.22Å; G398-I402 WeakPolarHBondContact O-CG1 3.41Å; G398-I402 PolarHBondContact O-N 2.87Å; I402-Q404 PolarHBondContact O-N 2.72Å; I402-F405 PolarHBondContact O-N 3.23Å; I402-H406 WeakPolarHBondContact O-CB 3.47Å; I402-H406 PolarHBondContact O-N 3.25Å
403	S	74.3	Confident	68.6	Low	85 Å²	85	53.2 Å²	53.2	59%	0.594	29%	0.287	S	S	*	.	H	α-helix	trans	-60.9	-46.8	-179.8	-178.5	0	0	0	0	112.6	K399 D400 I401	K399-S403 WeakPolarHBondContact O-CB 3.44Å; K399-S403 PolarHBondContact O-N 3.24Å; D400-S403 PolarHBondContact O-N 2.7Å; I401-S403 PolarHBondContact O-N 3.42Å
404	Q	66.8	Low	67.4	Low	27 Å²	27	51.8 Å²	51.8	13%	0.126	28%	0.277	C	S	.	.	H	α-helix	trans	-66.8	-43.2	-178.5	-70.8	169	18.9	0	0	111.4	D400 I401 I402 F423 F426	D400-Q404 VanDerWaalsContact O-CB 3.23Å; D400-Q404 WeakPolarHBondContact O-CB 3.36Å; D400-Q404 WeakPolarHBondContact O-CG 3.22Å; D400-Q404 PolarHBondContact O-N 2.86Å; I401-Q404 PolarHBondContact O-N 3.37Å; I402-Q404 PolarHBondContact O-N 2.72Å; Q404-F423 WeakPolarHBondContact O-CZ 3.35Å; Q404-F426 HydrophobicContact CB-CE2 4.23Å; Q404-F426 HydrophobicContact CB-CZ 4.49Å; Q404-F426 HydrophobicContact CG-CE2 4.23Å
405	F	66.6	Low	65.8	Low	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-94.9	-19.4	-172.6	-75.5	-73.9	0	0	0	116	L390 I401 I402 T407 A408 L409 F426 V481 F483 L503	L390-F405 HydrophobicContact CD1-CE1 4.46Å; L390-F405 HydrophobicContact CD1-CE2 3.23Å; L390-F405 HydrophobicContact CD1-CZ 3.16Å; L390-F405 HydrophobicContact CD2-CE2 4.47Å; L390-F405 HydrophobicContact CG-CE2 4.44Å; I401-F405 HydrophobicContact CG2-CD2 3.88Å; I401-F405 HydrophobicContact CG2-CE2 4.32Å; I401-F405 WeakPolarHBondContact O-CB 3.36Å; I401-F405 VanDerWaalsContact O-CD2 3.27Å; I401-F405 WeakPolarHBondContact O-CD2 3.28Å; I401-F405 PolarHBondContact O-N 2.85Å; I402-F405 PolarHBondContact O-N 3.23Å; F405-T407 PolarHBondContact O-N 2.93Å; F405-T407 VanDerWaalsContact O-N 3.11Å; F405-A408 HydrophobicContact CD1-CB 4.16Å; F405-A408 PolarHBondContact O-N 3.27Å; F405-A408 VanDerWaalsContact O-N 3.08Å; F405-L409 HydrophobicContact CB-CD1 4.07Å; F405-L409 HydrophobicContact CB-CG 4.13Å; F405-L409 HydrophobicContact CD1-CG 4.41Å; F405-L409 VanDerWaalsContact O-CB 3.25Å; F405-L409 WeakPolarHBondContact O-CB 3.31Å; F405-L409 WeakPolarHBondContact O-CG 3.38Å; F405-L409 PolarHBondContact O-N 3.01Å; F405-F426 HydrophobicContact CE2-CZ 4.36Å; F405-F426 HydrophobicContact CZ-CE1 4.19Å; F405-F426 HydrophobicContact CZ-CZ 4.07Å; F405-V481 HydrophobicContact CD1-CG1 4.36Å; F405-V481 HydrophobicContact CD1-CG2 4.31Å; F405-V481 HydrophobicContact CE1-CB 4.15Å; F405-V481 HydrophobicContact CE1-CG1 3.32Å; F405-V481 HydrophobicContact CE1-CG2 3.69Å; F405-V481 HydrophobicContact CE2-CG1 4.35Å; F405-V481 HydrophobicContact CZ-CG1 3.29Å; F405-F483 HydrophobicContact CD2-CZ 4.22Å; F405-F483 HydrophobicContact CE2-CE1 4.08Å; F405-F483 HydrophobicContact CE2-CE2 4.18Å; F405-F483 AromaticContact CE2-CZ 3.42Å; F405-F483 HydrophobicContact CE2-CZ 3.42Å; F405-F483 VanDerWaalsContact CE2-CZ 3.42Å; F405-F483 HydrophobicContact CZ-CE2 4.19Å; F405-F483 AromaticContact CZ-CZ 3.87Å; F405-F483 HydrophobicContact CZ-CZ 3.87Å; F405-L503 HydrophobicContact CB-CD1 3.03Å; F405-L503 HydrophobicContact CB-CG 4.47Å; F405-L503 HydrophobicContact CD1-CD1 4.15Å; F405-L503 HydrophobicContact CD2-CD1 3.64Å; F405-L503 HydrophobicContact CD2-CD2 4.18Å; F405-L503 HydrophobicContact CE2-CD2 4.39Å; F405-L503 HydrophobicContact CG-CD1 3.37Å; F405-L503 HydrophobicContact CG-CD2 4.42Å
406	H	62.6	Low	64	Low	130 Å²	130	54.4 Å²	54.4	60%	0.602	30%	0.301	S	S	*	.	H	α-helix	trans	-52.3	-36.8	172.4	-172.3	-83.8	0	0	0	110.1	I402 G410	I402-H406 WeakPolarHBondContact O-CB 3.47Å; I402-H406 PolarHBondContact O-N 3.25Å; H406-G410 PolarHBondContact O-N 3.05Å
407	T	56.6	Low	62	Low	51 Å²	51	60.1 Å²	60.1	31%	0.313	33%	0.331	S	S	.	.	H	α-helix	trans	-76.3	-42.4	176.3	-41.9	0	0	0	0	113.2	F405 V414	F405-T407 PolarHBondContact O-N 2.93Å; F405-T407 VanDerWaalsContact O-N 3.11Å; T407-V414 HydrophobicContact CG2-CG1 4.46Å
408	A	54	Low	59.9	Low	4 Å²	4	67 Å²	67	3%	0.033	36%	0.357	C	S	.	.	H	α-helix	trans	-75.7	-25.1	-179	0	0	0	0	0	114.6	F405 F423 R509	F405-A408 HydrophobicContact CD1-CB 4.16Å; F405-A408 PolarHBondContact O-N 3.27Å; F405-A408 VanDerWaalsContact O-N 3.08Å; A408-F423 HydrophobicContact CB-CE1 4.11Å; A408-F423 HydrophobicContact CB-CZ 3.86Å; A408-R509 PolarHBondContact O-NE 2.94Å
409	L	55.8	Low	57.6	Low	10 Å²	10	67.3 Å²	67.3	5%	0.052	36%	0.358	C	S	.	.	H	α-helix	trans	-94.9	-28.7	-178.5	-66.2	-179.4	0	0	0	113.3	F405 S411 L503 A507 R509	F405-L409 HydrophobicContact CB-CD1 4.07Å; F405-L409 HydrophobicContact CB-CG 4.13Å; F405-L409 HydrophobicContact CD1-CG 4.41Å; F405-L409 VanDerWaalsContact O-CB 3.25Å; F405-L409 WeakPolarHBondContact O-CB 3.31Å; F405-L409 WeakPolarHBondContact O-CG 3.38Å; F405-L409 PolarHBondContact O-N 3.01Å; L409-S411 VanDerWaalsContact C-N 3.33Å; L409-S411 PolarHBondContact O-N 3.35Å; L409-L503 HydrophobicContact CD1-CD1 3.2Å; L409-L503 HydrophobicContact CD1-CG 3.73Å; L409-L503 HydrophobicContact CG-CD1 4.24Å; L409-A507 HydrophobicContact CD1-CB 4.16Å; L409-A507 HydrophobicContact CD2-CB 4.17Å; L409-R509 HydrophobicContact CD2-CB 4.48Å
410	G	49.4	Very low	55.6	Low	55 Å²	55	62.5 Å²	62.5	57%	0.567	35%	0.346	S	S	*	.	H	α-helix	trans	-68.6	-28.3	-177.9	0	0	0	0	0	114	H406	H406-G410 PolarHBondContact O-N 3.05Å
411	S	47.8	Very low	53.6	Low	63 Å²	63	65.1 Å²	65.1	44%	0.441	36%	0.364	S	S	.	.			trans	-129.9	135	-171.3	-58	0	0	0	0	112.7	L409 H413	L409-S411 VanDerWaalsContact C-N 3.33Å; L409-S411 PolarHBondContact O-N 3.35Å; S411-H413 WeakPolarHBondContact CB-O 3.47Å; S411-H413 PolarHBondContact O-N 3.27Å
412	H	46.3	Very low	51.4	Low	83 Å²	83	67.9 Å²	67.9	38%	0.384	38%	0.383	S	S	.	.	S	Bend	trans	-63.5	-28.7	164.8	-75.4	-84.8	0	0	0	110.8	L475	H412-L475 CarbonylContact O-C 3.26Å; H412-L475 VanDerWaalsContact O-C 3.26Å
413	H	43.6	Very low	49.5	Very low	118 Å²	118	64.9 Å²	64.9	55%	0.546	37%	0.368	S	S	.	.			trans	-108.8	116.8	177.4	-67.8	-152.7	0	0	0	109.6	S411 N476	S411-H413 WeakPolarHBondContact CB-O 3.47Å; S411-H413 PolarHBondContact O-N 3.27Å; H413-N476 PolarHBondContact CD2-OD1 3.33Å; H413-N476 PolarHBondContact NE2-OD1 3.26Å
414	V	45.7	Very low	47.9	Very low	15 Å²	15	65.8 Å²	65.8	9%	0.091	37%	0.374	C	S	.	.			trans	-110.5	124.4	167.3	-168.9	0	0	0	0	107.7	T407 K416 L419 L475	T407-V414 HydrophobicContact CG2-CG1 4.46Å; V414-K416 PolarHBondContact O-N 2.93Å; V414-L419 HydrophobicContact CB-CD1 4.32Å; V414-L419 HydrophobicContact CB-CD2 4.14Å; V414-L419 HydrophobicContact CB-CG 4.18Å; V414-L419 HydrophobicContact CG1-CD1 4.37Å; V414-L419 HydrophobicContact CG1-CD2 3.58Å; V414-L419 HydrophobicContact CG1-CG 3.69Å; V414-L475 HydrophobicContact CB-CD1 3.75Å; V414-L475 WeakPolarHBondContact O-CD1 3.27Å
415	A	42	Very low	46.5	Very low	58 Å²	58	68.6 Å²	68.6	48%	0.479	39%	0.393	S	S	.	.			trans	-63.6	135.8	175.8	0	0	0	0	0	109.9	D417 Y418 L419	A415-D417 PolarHBondContact O-N 3.48Å; A415-D417 VanDerWaalsContact O-N 3.1Å; A415-Y418 HydrophobicContact CB-CD2 4.38Å; A415-Y418 PolarHBondContact O-N 3.48Å; A415-L419 PolarHBondContact O-N 3.43Å
416	K	41.4	Very low	45.2	Very low	131 Å²	131	69.8 Å²	69.8	57%	0.57	40%	0.399	S	S	*	.	H	α-helix	trans	-51.6	-35	-178.6	-170.1	-179.8	-177.5	178	0	112.6	V414 Y418 L419 S420 L473	V414-K416 PolarHBondContact O-N 2.93Å; K416-Y418 VanDerWaalsContact C-N 3.32Å; K416-Y418 PolarHBondContact O-N 3.26Å; K416-L419 PolarHBondContact O-N 3.06Å; K416-S420 PolarHBondContact O-N 2.84Å; K416-S420 VanDerWaalsContact O-N 3.1Å; K416-L473 HydrophobicContact CB-CD1 4.44Å; K416-L473 HydrophobicContact CD-CD1 3.75Å; K416-L473 HydrophobicContact CD-CG 4.29Å; K416-L473 HydrophobicContact CG-CD1 4.02Å
417	D	42.5	Very low	44.5	Very low	120 Å²	120	70.4 Å²	70.4	64%	0.642	40%	0.401	S	S	*	.	H	α-helix	trans	-69.1	-27	-177.5	-56.4	-26.6	0	0	0	113.4	A415 S420 T421	A415-D417 PolarHBondContact O-N 3.48Å; A415-D417 VanDerWaalsContact O-N 3.1Å; D417-S420 PolarHBondContact O-OG 3.39Å; D417-T421 PolarHBondContact O-OG1 3.32Å
418	Y	42.5	Very low	43.6	Very low	149 Å²	149	71.6 Å²	71.6	58%	0.584	41%	0.405	S	S	*	.	H	α-helix	trans	-83.2	-33.8	174.4	-85.7	-87	0	0	0	111.9	A415 K416 S420 T421 S422	A415-Y418 HydrophobicContact CB-CD2 4.38Å; A415-Y418 PolarHBondContact O-N 3.48Å; K416-Y418 VanDerWaalsContact C-N 3.32Å; K416-Y418 PolarHBondContact O-N 3.26Å; Y418-S420 VanDerWaalsContact C-N 3.33Å; Y418-T421 PolarHBondContact O-N 3.49Å; Y418-T421 PolarHBondContact O-OG1 2.76Å; Y418-S422 PolarHBondContact O-N 2.92Å
419	L	39.1	Very low	43.2	Very low	14 Å²	14	74.7 Å²	74.7	7%	0.073	42%	0.42	C	S	.	.	H	α-helix	trans	-62	-42.9	173.2	-66.7	-179.9	0	0	0	110.6	V414 A415 K416 T421 F423 M428 L475	V414-L419 HydrophobicContact CB-CD1 4.32Å; V414-L419 HydrophobicContact CB-CD2 4.14Å; V414-L419 HydrophobicContact CB-CG 4.18Å; V414-L419 HydrophobicContact CG1-CD1 4.37Å; V414-L419 HydrophobicContact CG1-CD2 3.58Å; V414-L419 HydrophobicContact CG1-CG 3.69Å; A415-L419 PolarHBondContact O-N 3.43Å; K416-L419 PolarHBondContact O-N 3.06Å; L419-T421 VanDerWaalsContact C-N 3.35Å; L419-T421 PolarHBondContact O-N 3.26Å; L419-F423 HydrophobicContact CB-CD2 4.33Å; L419-F423 HydrophobicContact CD2-CD1 4.35Å; L419-F423 HydrophobicContact CD2-CD2 3.62Å; L419-F423 HydrophobicContact CD2-CE1 4.22Å; L419-F423 HydrophobicContact CD2-CE2 3.44Å; L419-F423 VanDerWaalsContact CD2-CE2 3.44Å; L419-F423 HydrophobicContact CD2-CG 4.1Å; L419-F423 HydrophobicContact CD2-CZ 3.78Å; L419-F423 WeakPolarHBondContact O-CA 3.39Å; L419-F423 WeakPolarHBondContact O-CB 3.48Å; L419-F423 WeakPolarHBondContact O-CD2 3.31Å; L419-F423 PolarHBondContact O-N 3.42Å; L419-M428 HydrophobicContact CD1-CE 3.67Å; L419-L475 HydrophobicContact CD1-CD1 3.67Å
420	S	42.9	Very low	42.4	Very low	78 Å²	78	76.9 Å²	76.9	55%	0.545	43%	0.434	S	S	.	.	H	α-helix	trans	-65.9	-34.2	179.8	62.7	0	0	0	0	113.9	K416 D417 Y418	K416-S420 PolarHBondContact O-N 2.84Å; K416-S420 VanDerWaalsContact O-N 3.1Å; D417-S420 PolarHBondContact O-OG 3.39Å; Y418-S420 VanDerWaalsContact C-N 3.33Å
421	T	41.2	Very low	41.9	Very low	101 Å²	101	78.4 Å²	78.4	62%	0.62	44%	0.436	S	S	*	.	H	α-helix	trans	-90.2	-37.9	-174.4	41.3	0	0	0	0	114.1	D417 Y418 L419	D417-T421 PolarHBondContact O-OG1 3.32Å; Y418-T421 PolarHBondContact O-N 3.49Å; Y418-T421 PolarHBondContact O-OG1 2.76Å; L419-T421 VanDerWaalsContact C-N 3.35Å; L419-T421 PolarHBondContact O-N 3.26Å
422	S	37.5	Very low	41.2	Very low	57 Å²	57	80 Å²	80	40%	0.399	45%	0.447	S	S	.	.	H	α-helix	trans	-88.8	-20.6	176.5	-62	0	0	0	0	113.7	Y418	Y418-S422 PolarHBondContact O-N 2.92Å
423	F	41.4	Very low	40.3	Very low	13 Å²	13	80.8 Å²	80.8	6%	0.057	46%	0.461	C	S	.	.			trans	-114.4	29.2	-172.2	-55.6	-114.3	0	0	0	112.9	Q404 A408 L419 T425 F426	Q404-F423 WeakPolarHBondContact O-CZ 3.35Å; A408-F423 HydrophobicContact CB-CE1 4.11Å; A408-F423 HydrophobicContact CB-CZ 3.86Å; L419-F423 HydrophobicContact CB-CD2 4.33Å; L419-F423 HydrophobicContact CD2-CD1 4.35Å; L419-F423 HydrophobicContact CD2-CD2 3.62Å; L419-F423 HydrophobicContact CD2-CE1 4.22Å; L419-F423 HydrophobicContact CD2-CE2 3.44Å; L419-F423 VanDerWaalsContact CD2-CE2 3.44Å; L419-F423 HydrophobicContact CD2-CG 4.1Å; L419-F423 HydrophobicContact CD2-CZ 3.78Å; L419-F423 WeakPolarHBondContact O-CA 3.39Å; L419-F423 WeakPolarHBondContact O-CB 3.48Å; L419-F423 WeakPolarHBondContact O-CD2 3.31Å; L419-F423 PolarHBondContact O-N 3.42Å; F423-T425 PolarHBondContact O-N 2.93Å; F423-F426 HydrophobicContact CB-CB 4.05Å; F423-F426 HydrophobicContact CB-CD2 3.69Å; F423-F426 HydrophobicContact CB-CG 4.19Å; F423-F426 HydrophobicContact CD1-CB 4.37Å; F423-F426 HydrophobicContact CD1-CD1 4.4Å; F423-F426 AromaticContact CD1-CD2 3.36Å; F423-F426 HydrophobicContact CD1-CD2 3.36Å; F423-F426 AromaticContact CD1-CE2 3.52Å; F423-F426 HydrophobicContact CD1-CE2 3.52Å; F423-F426 AromaticContact CD1-CG 3.81Å; F423-F426 HydrophobicContact CD1-CG 3.81Å; F423-F426 HydrophobicContact CD1-CZ 4.12Å; F423-F426 HydrophobicContact CE1-CD2 4.33Å; F423-F426 HydrophobicContact CE1-CE2 4.07Å; F423-F426 HydrophobicContact CE1-CZ 4.35Å; F423-F426 AromaticContact CG-CD2 3.94Å; F423-F426 HydrophobicContact CG-CD2 3.94Å; F423-F426 HydrophobicContact CG-CE2 4.34Å; F423-F426 PolarHBondContact O-N 2.85Å
424	S	39.9	Very low	39.6	Very low	104 Å²	104	83 Å²	83	73%	0.727	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-16.9	176	67.6	0	0	0	0	113.6
425	T	37	Very low	38.7	Very low	87 Å²	87	88 Å²	88	53%	0.534	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-15.9	176.7	-50.1	0	0	0	0	113.9	S394 F423	S394-T425 VanDerWaalsContact CB-CG2 3.43Å; F423-T425 PolarHBondContact O-N 2.93Å
426	F	40.9	Very low	37.9	Very low	25 Å²	25	94 Å²	94	11%	0.11	52%	0.523	C	S	.	.			trans	-91	125	-177.4	-74.3	-101.8	0	0	0	112	F388 E389 L390 Q404 F405 F423 M428	F388-F426 HydrophobicContact CB-CD1 4.31Å; F388-F426 HydrophobicContact CB-CE1 4.32Å; E389-F426 WeakPolarHBondContact O-CD1 3.45Å; E389-F426 WeakPolarHBondContact O-CE1 3.26Å; L390-F426 HydrophobicContact CD1-CE1 3.53Å; L390-F426 HydrophobicContact CD1-CZ 3.56Å; L390-F426 HydrophobicContact CD2-CZ 4.18Å; L390-F426 HydrophobicContact CG-CE1 3.78Å; L390-F426 HydrophobicContact CG-CZ 3.71Å; Q404-F426 HydrophobicContact CB-CE2 4.23Å; Q404-F426 HydrophobicContact CB-CZ 4.49Å; Q404-F426 HydrophobicContact CG-CE2 4.23Å; F405-F426 HydrophobicContact CE2-CZ 4.36Å; F405-F426 HydrophobicContact CZ-CE1 4.19Å; F405-F426 HydrophobicContact CZ-CZ 4.07Å; F423-F426 HydrophobicContact CB-CB 4.05Å; F423-F426 HydrophobicContact CB-CD2 3.69Å; F423-F426 HydrophobicContact CB-CG 4.19Å; F423-F426 HydrophobicContact CD1-CB 4.37Å; F423-F426 HydrophobicContact CD1-CD1 4.4Å; F423-F426 AromaticContact CD1-CD2 3.36Å; F423-F426 HydrophobicContact CD1-CD2 3.36Å; F423-F426 AromaticContact CD1-CE2 3.52Å; F423-F426 HydrophobicContact CD1-CE2 3.52Å; F423-F426 AromaticContact CD1-CG 3.81Å; F423-F426 HydrophobicContact CD1-CG 3.81Å; F423-F426 HydrophobicContact CD1-CZ 4.12Å; F423-F426 HydrophobicContact CE1-CD2 4.33Å; F423-F426 HydrophobicContact CE1-CE2 4.07Å; F423-F426 HydrophobicContact CE1-CZ 4.35Å; F423-F426 AromaticContact CG-CD2 3.94Å; F423-F426 HydrophobicContact CG-CD2 3.94Å; F423-F426 HydrophobicContact CG-CE2 4.34Å; F423-F426 PolarHBondContact O-N 2.85Å; F426-M428 PolarHBondContact O-N 3.42Å
427	Q	47.8	Very low	37.1	Very low	142 Å²	142	94.4 Å²	94.4	66%	0.664	53%	0.531	S	S	*	.			trans	-75	103.6	158.9	-94.3	174.1	-22.6	0	0	108.9	I429	Q427-I429 HydrophobicContact CB-CG1 4.25Å; Q427-I429 PolarHBondContact O-N 3.28Å; Q427-I429 VanDerWaalsContact O-N 3.16Å
428	M	36.5	Very low	36.3	Very low	77 Å²	77	96.2 Å²	96.2	38%	0.379	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	100.2	159.3	-95.4	-143.9	-89	0	0	108.4	F388 L419 F426 T430	F388-M428 HydrophobicContact CD1-CG 4.04Å; F388-M428 HydrophobicContact CD1-SD 4.48Å; F388-M428 HydrophobicContact CE1-CG 3.74Å; F388-M428 HydrophobicContact CE1-SD 3.61Å; F388-M428 HydrophobicContact CZ-SD 4.27Å; L419-M428 HydrophobicContact CD1-CE 3.67Å; F426-M428 PolarHBondContact O-N 3.42Å; M428-T430 PolarHBondContact O-N 2.9Å
429	I	45.4	Very low	35.6	Very low	68 Å²	68	94 Å²	94	35%	0.349	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	98.8	172.4	-59.8	171.8	0	0	0	107.4	Y377 Q427	Y377-I429 HydrophobicContact CD1-CD1 4.46Å; Y377-I429 HydrophobicContact CE1-CB 4.44Å; Y377-I429 HydrophobicContact CE1-CD1 3.57Å; Q427-I429 HydrophobicContact CB-CG1 4.25Å; Q427-I429 PolarHBondContact O-N 3.28Å; Q427-I429 VanDerWaalsContact O-N 3.16Å
430	T	40	Very low	35	Very low	56 Å²	56	102.6 Å²	102.6	34%	0.344	59%	0.587	S	S	.	*			trans	-108.9	99.3	168.6	53.2	0	0	0	0	109.2	K386 M428 S432	K386-T430 HydrophobicContact CD-CG2 3.94Å; K386-T430 HydrophobicContact CG-CG2 4.17Å; M428-T430 PolarHBondContact O-N 2.9Å; T430-S432 PolarHBondContact O-N 3.31Å; T430-S432 VanDerWaalsContact O-N 3.08Å
431	S	38.7	Very low	34.2	Very low	88 Å²	88	105 Å²	105	62%	0.615	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	12.8	177.9	-46.2	0	0	0	0	114.1
432	S	33.6	Very low	33.5	Very low	96 Å²	96	106.5 Å²	106.5	67%	0.671	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.1	9.1	-174	71.2	0	0	0	0	115.5	T430 L434	T430-S432 PolarHBondContact O-N 3.31Å; T430-S432 VanDerWaalsContact O-N 3.08Å; S432-L434 PolarHBondContact O-N 3.21Å
433	S	27.3	Very low	32.9	Very low	99 Å²	99	114.3 Å²	114.3	69%	0.692	62%	0.622	S	S	*	*			trans	-97.9	58.1	171.7	66	0	0	0	0	111.7
434	L	27.4	Very low	32.2	Very low	164 Å²	164	121.6 Å²	121.6	86%	0.859	65%	0.654	S	S	*	*			trans	-119.6	51	162.8	-80.9	169.3	0	0	0	109.2	S432	S432-L434 PolarHBondContact O-N 3.21Å
435	T	27.4	Very low	31.5	Very low	121 Å²	121	121 Å²	121	74%	0.742	65%	0.649	S	S	*	*			trans	-146.5	130.5	158.8	54.1	0	0	0	0	110.4
436	K	24.6	Very low	31.2	Very low	184 Å²	184	120.2 Å²	120.2	80%	0.8	65%	0.652	S	S	*	*			trans	87.7	95.6	161.1	-61.9	175.5	-178.8	178.8	0	118.6
437	N	25.4	Very low	30.7	Very low	140 Å²	140	121.9 Å²	121.9	75%	0.749	67%	0.67	S	S	*	*				84.5	106	125.4	-57.8	-8.6	0	0	0	119.1
438	N	26.7	Very low	29.8	Very low	158 Å²	158	120.6 Å²	120.6	85%	0.845	67%	0.668	S	S	*	*			trans	48.3	88	135.3	-60.9	-3.7	0	0	0	118
439	S	25.9	Very low	29.5	Very low	102 Å²	102	125.7 Å²	125.7	71%	0.713	69%	0.688	S	S	*	*			trans	-163.2	126.3	135.1	59.9	0	0	0	0	109.1	T441	S439-T441 PolarHBondContact O-N 3.26Å
440	E	26.5	Very low	28.7	Very low	195 Å²	195	130.4 Å²	130.4	91%	0.911	71%	0.707	S	S	*	*			trans	-48.4	100.5	-179.7	-67	166.6	152.3	0	0	112.4	I442	E440-I442 PolarHBondContact O-N 3.09Å; E440-I442 VanDerWaalsContact O-N 3.15Å
441	T	27.1	Very low	28	Very low	129 Å²	129	135.9 Å²	135.9	79%	0.791	73%	0.726	S	S	*	*			trans	-86.5	85.3	173.4	49.2	0	0	0	0	109.6	S439 R443	S439-T441 PolarHBondContact O-N 3.26Å; T441-R443 PolarHBondContact O-N 3.4Å
442	I	26.4	Very low	27.4	Very low	132 Å²	132	137.3 Å²	137.3	68%	0.677	73%	0.733	S	S	*	*			trans	-44.8	124.1	156.4	-66.7	168.8	0	0	0	107.8	E440 K444	E440-I442 PolarHBondContact O-N 3.09Å; E440-I442 VanDerWaalsContact O-N 3.15Å; I442-K444 VanDerWaalsContact C-N 3.29Å; I442-K444 PolarHBondContact O-N 3.02Å
443	R	25	Very low	27.2	Very low	221 Å²	221	139 Å²	139	83%	0.834	74%	0.739	S	S	*	*			trans	-55.9	86.7	175.8	-72.1	177.3	175.7	170.4	-2.7	109.8	T441 S445	T441-R443 PolarHBondContact O-N 3.4Å; R443-S445 PolarHBondContact O-N 2.79Å; R443-S445 VanDerWaalsContact O-N 3.1Å
444	K	26.8	Very low	27.2	Very low	165 Å²	165	139.7 Å²	139.7	72%	0.717	74%	0.741	S	S	*	*			trans	-80.2	96.6	179	-76.2	175.1	-175.9	175.3	0	108.8	I442	I442-K444 VanDerWaalsContact C-N 3.29Å; I442-K444 PolarHBondContact O-N 3.02Å
445	S	25.2	Very low	27	Very low	91 Å²	91	141.3 Å²	141.3	64%	0.636	74%	0.741	S	S	*	*			trans	-41.7	139.7	166.7	170.8	0	0	0	0	112.2	R443 A447 N448	R443-S445 PolarHBondContact O-N 2.79Å; R443-S445 VanDerWaalsContact O-N 3.1Å; S445-A447 PolarHBondContact O-N 2.98Å; S445-N448 PolarHBondContact O-N 3.15Å
446	A	31	Very low	26.9	Very low	72 Å²	72	145.2 Å²	145.2	60%	0.595	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-54.5	-11.9	-171.2	0	0	0	0	0	115.8	N448 F449	A446-N448 VanDerWaalsContact C-N 3.28Å; A446-N448 PolarHBondContact O-N 2.87Å; A446-F449 PolarHBondContact O-N 3.05Å
447	A	30.5	Very low	26.9	Very low	60 Å²	60	143.7 Å²	143.7	50%	0.496	75%	0.748	S	S	.	*	G	3₁₀ helix	trans	-65.6	-24.2	180	0	0	0	0	0	114.1	S445	S445-A447 PolarHBondContact O-N 2.98Å
448	N	28.6	Very low	27	Very low	114 Å²	114	144.1 Å²	144.1	61%	0.61	76%	0.756	S	S	*	*	G	3₁₀ helix	trans	-87.9	-1.3	-178.9	-76.2	-20.8	0	0	0	114.8	S445 A446 F450	S445-N448 PolarHBondContact O-N 3.15Å; A446-N448 VanDerWaalsContact C-N 3.28Å; A446-N448 PolarHBondContact O-N 2.87Å; N448-F450 PolarHBondContact O-N 3.07Å
449	F	30.7	Very low	26.9	Very low	184 Å²	184	141.8 Å²	141.8	81%	0.807	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-75.8	-10	173.1	-97.7	-89.4	0	0	0	113.7	A446	A446-F449 PolarHBondContact O-N 3.05Å
450	F	27.8	Very low	26.8	Very low	168 Å²	168	142.1 Å²	142.1	74%	0.737	75%	0.754	S	S	*	*	G	3₁₀ helix	trans	-102.8	11.2	-171.8	-69.9	-72.9	0	0	0	115.8	N448 P452	N448-F450 PolarHBondContact O-N 3.07Å; F450-P452 WeakPolarHBondContact O-CD 3.38Å
451	K	24.3	Very low	26.7	Very low	170 Å²	170	142.7 Å²	142.7	74%	0.739	75%	0.754	S	S	*	*			trans	-77.7	110.9	173.7	-75.6	-171.3	178	-177.5	0	110.1	V453	K451-V453 PolarHBondContact O-N 3.22Å
452	P	26.6	Very low	26.4	Very low	119 Å²	119	145.9 Å²	145.9	77%	0.773	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-67.8	125.2	174.9	-6.9	24.8	0	0	0	107.7	F450	F450-P452 WeakPolarHBondContact O-CD 3.38Å
453	V	29.9	Very low	26.2	Very low	131 Å²	131	146.6 Å²	146.6	79%	0.794	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-61.6	123.4	176	-179.9	0	0	0	0	108.3	K451 K455	K451-V453 PolarHBondContact O-N 3.22Å; V453-K455 PolarHBondContact O-N 3.15Å
454	P	26.4	Very low	26	Very low	114 Å²	114	141.9 Å²	141.9	74%	0.74	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-67.4	123.9	-178.5	25.3	-30.4	0	0	0	109.5	K456	P454-K456 PolarHBondContact O-N 3.16Å
455	K	24.8	Very low	25.9	Very low	198 Å²	198	139.5 Å²	139.5	86%	0.861	76%	0.762	S	S	*	*			trans	-58.8	101.6	-179.7	-66	176.5	-180	174.8	0	109.7	V453 N457	V453-K455 PolarHBondContact O-N 3.15Å; K455-N457 PolarHBondContact O-N 3.21Å
456	K	25.2	Very low	25.8	Very low	203 Å²	203	140.4 Å²	140.4	88%	0.883	77%	0.768	S	S	*	*			trans	-74.5	117.2	164.1	-101.9	-178.5	176.5	177.7	0	108.2	P454 V458	P454-K456 PolarHBondContact O-N 3.16Å; K456-V458 PolarHBondContact O-N 3.29Å
457	N	25.1	Very low	25.4	Very low	151 Å²	151	143.1 Å²	143.1	81%	0.807	78%	0.778	S	S	*	*			trans	-54.1	128.1	-177.7	-73.2	-32.6	0	0	0	111.8	K455 S459	K455-N457 PolarHBondContact O-N 3.21Å; N457-S459 PolarHBondContact O-N 2.91Å; N457-S459 VanDerWaalsContact O-N 3.1Å
458	V	25.6	Very low	25.2	Very low	149 Å²	149	149.3 Å²	149.3	90%	0.903	79%	0.793	S	S	*	*			trans	-60.1	105.3	172.6	177.7	0	0	0	0	108.3	K456	K456-V458 PolarHBondContact O-N 3.29Å
459	S	25.2	Very low	25.1	Very low	110 Å²	110	150.9 Å²	150.9	77%	0.769	80%	0.802	S	S	*	*			trans	-119.9	116.3	155	55.1	0	0	0	0	108.3	N457	N457-S459 PolarHBondContact O-N 2.91Å; N457-S459 VanDerWaalsContact O-N 3.1Å
460	S	24.3	Very low	24.9	Very low	108 Å²	108	147.5 Å²	147.5	76%	0.755	80%	0.801	S	S	*	*			trans	-42.6	126	175.9	39.4	0	0	0	0	114
461	K	23.5	Very low	24.9	Very low	207 Å²	207	148.1 Å²	148.1	90%	0.9	81%	0.806	S	S	*	*			trans	-162.4	115.1	138.8	-108.6	159.2	-173.8	177.9	0	110.7
462	K	21.2	Very low	25	Very low	196 Å²	196	145.1 Å²	145.1	85%	0.852	81%	0.806	S	S	*	*			trans	-49.7	137.1	161.8	-71.3	170.4	172.2	175	0	108.9
463	N	22.5	Very low	25.2	Very low	147 Å²	147	143.6 Å²	143.6	79%	0.786	79%	0.791	S	S	*	*				178.2	122.6	129.7	-84.6	-11.9	0	0	0	112
464	T	21.6	Very low	25.3	Very low	122 Å²	122	142.4 Å²	142.4	75%	0.748	78%	0.781	S	S	*	*			trans	53.5	109.6	139.3	56.8	0	0	0	0	121.3
465	S	23.4	Very low	26	Very low	116 Å²	116	137.6 Å²	137.6	81%	0.811	75%	0.749	S	S	*	*			trans	50.8	106.4	133.1	63.3	0	0	0	0	120
466	S	23.5	Very low	27.2	Very low	110 Å²	110	131 Å²	131	77%	0.769	72%	0.722	S	S	*	*			trans	-160.8	113.6	133.7	60.5	0	0	0	0	109.7	K468	S466-K468 PolarHBondContact O-N 2.88Å
467	T	23.8	Very low	28.7	Very low	129 Å²	129	123.2 Å²	123.2	79%	0.791	69%	0.693	S	S	*	*			trans	-50.7	114.1	169.5	43.5	0	0	0	0	111.5
468	K	25	Very low	31.1	Very low	189 Å²	189	117.4 Å²	117.4	82%	0.822	66%	0.662	S	S	*	*			trans	-129.6	110.6	150.3	-75.4	-167.5	177.4	-176.5	0	105.5	S466 S470	S466-K468 PolarHBondContact O-N 2.88Å; K468-S470 VanDerWaalsContact C-N 3.34Å; K468-S470 PolarHBondContact O-N 3.41Å
469	D	26.3	Very low	33.9	Very low	148 Å²	148	110.4 Å²	110.4	79%	0.791	62%	0.62	S	S	*	*			trans	-61.1	95.3	-174.3	-60.3	-47.7	0	0	0	109.4	E471	D469-E471 VanDerWaalsContact C-N 3.29Å; D469-E471 PolarHBondContact O-N 2.58Å
470	S	27.2	Very low	36.9	Very low	112 Å²	112	105.2 Å²	105.2	78%	0.783	58%	0.583	S	S	*	*			trans	-60.9	98.1	161.1	-51.6	0	0	0	0	106	K468 S472	K468-S470 VanDerWaalsContact C-N 3.34Å; K468-S470 PolarHBondContact O-N 3.41Å; S470-S472 PolarHBondContact O-N 3.46Å
471	E	27.5	Very low	40	Very low	182 Å²	182	100.1 Å²	100.1	85%	0.85	55%	0.548	S	S	*	.			trans	-56.4	88.6	171.6	-76.1	-177	157.2	0	0	109.1	D469 L473	D469-E471 VanDerWaalsContact C-N 3.29Å; D469-E471 PolarHBondContact O-N 2.58Å; E471-L473 PolarHBondContact O-N 3.44Å
472	S	26.3	Very low	43.3	Very low	106 Å²	106	90.2 Å²	90.2	74%	0.741	51%	0.505	S	S	*	.			trans	-63.9	114.1	167.2	48.9	0	0	0	0	106	S470 N474	S470-S472 PolarHBondContact O-N 3.46Å; S472-N474 PolarHBondContact O-N 3.07Å
473	L	30.4	Very low	46.7	Very low	87 Å²	87	80.9 Å²	80.9	46%	0.455	46%	0.464	S	S	.	.			trans	-55.3	113.3	173.3	-68.2	174.9	0	0	0	107.2	K416 E471 L475	K416-L473 HydrophobicContact CB-CD1 4.44Å; K416-L473 HydrophobicContact CD-CD1 3.75Å; K416-L473 HydrophobicContact CD-CG 4.29Å; K416-L473 HydrophobicContact CG-CD1 4.02Å; E471-L473 PolarHBondContact O-N 3.44Å; L473-L475 VanDerWaalsContact C-N 3.25Å; L473-L475 HydrophobicContact CB-CD2 4.06Å; L473-L475 HydrophobicContact CB-CG 4.42Å; L473-L475 WeakPolarHBondContact O-CG 3.44Å; L473-L475 PolarHBondContact O-N 3.31Å
474	N	32.6	Very low	50	Low	107 Å²	107	74.1 Å²	74.1	57%	0.572	43%	0.428	S	S	*	.			trans	-66.7	88.1	178.7	-142.7	3.4	0	0	0	107.5	S472 N476 C477	S472-N474 PolarHBondContact O-N 3.07Å; N474-N476 PolarHBondContact O-N 3.34Å; N474-N476 VanDerWaalsContact O-N 3.09Å; N474-N476 PolarHBondContact OD1-ND2 2.99Å; N474-N476 PolarHBondContact OD1-OD1 3.43Å; N474-C477 PolarHBondContact O-SG 2.94Å
475	L	41	Very low	53.2	Low	13 Å²	13	68.7 Å²	68.7	7%	0.068	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	18	-175.2	-69.4	-164	0	0	0	113.7	H412 V414 L419 L473 C477	H412-L475 CarbonylContact O-C 3.26Å; H412-L475 VanDerWaalsContact O-C 3.26Å; V414-L475 HydrophobicContact CB-CD1 3.75Å; V414-L475 WeakPolarHBondContact O-CD1 3.27Å; L419-L475 HydrophobicContact CD1-CD1 3.67Å; L473-L475 VanDerWaalsContact C-N 3.25Å; L473-L475 HydrophobicContact CB-CD2 4.06Å; L473-L475 HydrophobicContact CB-CG 4.42Å; L473-L475 WeakPolarHBondContact O-CG 3.44Å; L473-L475 PolarHBondContact O-N 3.31Å; L475-C477 PolarHBondContact O-N 2.74Å
476	N	50.1	Low	56.4	Low	58 Å²	58	63.2 Å²	63.2	31%	0.31	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-10.3	157.5	-48.8	20.3	0	0	0	112	H413 N474 N478	H413-N476 PolarHBondContact CD2-OD1 3.33Å; H413-N476 PolarHBondContact NE2-OD1 3.26Å; N474-N476 PolarHBondContact O-N 3.34Å; N474-N476 VanDerWaalsContact O-N 3.09Å; N474-N476 PolarHBondContact OD1-ND2 2.99Å; N474-N476 PolarHBondContact OD1-OD1 3.43Å; N476-N478 PolarHBondContact O-N 3.15Å
477	C	56	Low	59.5	Low	40 Å²	40	60.1 Å²	60.1	27%	0.27	33%	0.331	S	S	.	.			trans	-48.9	121.4	173	-60.6	0	0	0	0	113.2	K386 N474 L475 S479 R509	K386-C477 HydrophobicContact CD-CB 4.04Å; K386-C477 PolarHBondContact NZ-SG 3.28Å; N474-C477 PolarHBondContact O-SG 2.94Å; L475-C477 PolarHBondContact O-N 2.74Å; C477-S479 PolarHBondContact O-N 2.97Å; C477-R509 PolarHBondContact O-NH1 2.8Å
478	N	76.7	Confident	62.4	Low	30 Å²	30	54.6 Å²	54.6	16%	0.16	30%	0.297	C	S	.	.			trans	-50.9	123	161.5	-74.9	-48.3	0	0	0	109.6	N248 F385 K386 N476	N248-N478 VanDerWaalsContact CB-OD1 3.29Å; N248-N478 WeakPolarHBondContact CB-OD1 3.38Å; N248-N478 PolarHBondContact ND2-OD1 3Å; F385-N478 CarbonylContact C-O 3.31Å; F385-N478 VanDerWaalsContact CA-O 3.29Å; F385-N478 WeakPolarHBondContact CA-O 3.46Å; F385-N478 HydrophobicContact CD1-CB 3.62Å; F385-N478 HydrophobicContact CE1-CB 3.7Å; F385-N478 HydrophobicContact CG-CB 4.23Å; F385-N478 HydrophobicContact CZ-CB 4.37Å; K386-N478 PolarHBondContact N-O 3.48Å; N476-N478 PolarHBondContact O-N 3.15Å
479	S	84	Confident	65.3	Low	2 Å²	2	48.6 Å²	48.6	1%	0.014	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	154.7	179	80.4	0	0	0	0	111.8	K386 F388 C477 R509 P510	K386-S479 CarbonylContact O-C 3.56Å; K386-S479 WeakPolarHBondContact O-CA 3.4Å; K386-S479 WeakPolarHBondContact O-CB 3.49Å; F388-S479 VanDerWaalsContact CE2-CB 3.44Å; F388-S479 VanDerWaalsContact CE2-OG 3.24Å; F388-S479 WeakPolarHBondContact CE2-OG 3.25Å; C477-S479 PolarHBondContact O-N 2.97Å; S479-R509 VanDerWaalsContact OG-CD 3.29Å; S479-R509 WeakPolarHBondContact OG-CD 3.42Å; S479-R509 PolarHBondContact OG-NH1 3.19Å; S479-P510 WeakPolarHBondContact O-CD 3.45Å; S479-P510 WeakPolarHBondContact O-CG 3.47Å
480	I	88.8	Confident	67.9	Low	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	137.7	176.9	-66.1	163.1	0	0	0	107.7	L241 A380 F385 K386 I387 F388 P510 I512	L241-I480 HydrophobicContact CD1-CD1 4.12Å; L241-I480 HydrophobicContact CD2-CD1 3.75Å; L241-I480 HydrophobicContact CD2-CG1 4.05Å; A380-I480 HydrophobicContact CB-CD1 4Å; F385-I480 HydrophobicContact CB-CD1 3.56Å; F385-I480 HydrophobicContact CB-CG1 3.85Å; F385-I480 HydrophobicContact CD1-CD1 4.03Å; F385-I480 HydrophobicContact CD1-CG1 3.64Å; F385-I480 HydrophobicContact CD2-CD1 4.08Å; F385-I480 HydrophobicContact CE1-CG1 4.32Å; F385-I480 HydrophobicContact CG-CD1 3.65Å; F385-I480 HydrophobicContact CG-CG1 3.8Å; K386-I480 PolarHBondContact O-N 3.35Å; I387-I480 WeakPolarHBondContact CA-O 3.16Å; I387-I480 HydrophobicContact CG1-CB 4.43Å; F388-I480 PolarHBondContact N-O 3Å; I480-P510 HydrophobicContact CB-CG 4.47Å; I480-P510 HydrophobicContact CG1-CG 3.82Å; I480-I512 HydrophobicContact CG2-CB 4.43Å; I480-I512 HydrophobicContact CG2-CD1 3.76Å; I480-I512 HydrophobicContact CG2-CG1 3.91Å
481	V	88.9	Confident	70.2	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	124.4	165.9	178.2	0	0	0	0	107.8	F405 F483 P510 V511 I512	F405-V481 HydrophobicContact CD1-CG1 4.36Å; F405-V481 HydrophobicContact CD1-CG2 4.31Å; F405-V481 HydrophobicContact CE1-CB 4.15Å; F405-V481 HydrophobicContact CE1-CG1 3.32Å; F405-V481 HydrophobicContact CE1-CG2 3.69Å; F405-V481 HydrophobicContact CE2-CG1 4.35Å; F405-V481 HydrophobicContact CZ-CG1 3.29Å; V481-F483 HydrophobicContact CG1-CD2 3.96Å; V481-F483 HydrophobicContact CG1-CE2 3.5Å; V481-F483 VanDerWaalsContact CG1-CE2 3.5Å; V481-F483 HydrophobicContact CG1-CZ 4.31Å; V481-P510 PolarHBondContact N-O 2.87Å; V481-V511 HydrophobicContact CB-CG2 4.22Å; V481-V511 HydrophobicContact CG1-CG1 4.42Å; V481-V511 CarbonylContact O-C 3.14Å; V481-V511 WeakPolarHBondContact O-CA 3.39Å; V481-I512 PolarHBondContact O-N 2.91Å
482	L	92.7	Very high	72.7	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	123.9	178.9	173.8	58.1	0	0	0	109.7	I376 Y377 I387 F388 E389 L390 I512 T514	I376-L482 HydrophobicContact CD1-CD1 3.58Å; I376-L482 HydrophobicContact CD1-CD2 4.36Å; I376-L482 HydrophobicContact CG2-CD1 4.49Å; I376-L482 HydrophobicContact CG2-CD2 4.13Å; Y377-L482 HydrophobicContact CE2-CD2 4.3Å; I387-L482 HydrophobicContact CG2-CB 3.81Å; I387-L482 HydrophobicContact CG2-CD2 4.17Å; F388-L482 PolarHBondContact O-N 3.12Å; E389-L482 CarbonylContact C-O 3.6Å; E389-L482 VanDerWaalsContact CA-O 3.3Å; E389-L482 WeakPolarHBondContact CA-O 3.43Å; E389-L482 HydrophobicContact CB-CB 4.46Å; E389-L482 HydrophobicContact CB-CD2 4.46Å; E389-L482 HydrophobicContact CG-CB 4.5Å; E389-L482 HydrophobicContact CG-CD2 4.04Å; E389-L482 HydrophobicContact CG-CG 4.16Å; L390-L482 PolarHBondContact N-O 3.43Å; L482-I512 CarbonylContact C-O 3.42Å; L482-I512 WeakPolarHBondContact CA-O 3.3Å; L482-I512 HydrophobicContact CD1-CB 4.25Å; L482-I512 HydrophobicContact CD1-CG2 4.25Å; L482-T514 HydrophobicContact CD1-CG2 4.1Å
483	F	92.4	Very high	75.5	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	104.4	165.7	-72.4	-93.3	0	0	0	107.7	L390 I401 F405 V481 V486 F496 L500 L503 V511 I512 L513 T514	L390-F483 HydrophobicContact CB-CD1 4.2Å; L390-F483 HydrophobicContact CB-CE1 4.47Å; L390-F483 HydrophobicContact CD1-CD1 4.12Å; L390-F483 HydrophobicContact CD1-CE1 3.74Å; L390-F483 HydrophobicContact CD1-CZ 3.99Å; L390-F483 HydrophobicContact CD2-CE1 4.43Å; L390-F483 HydrophobicContact CG-CE1 4.46Å; I401-F483 HydrophobicContact CD1-CE1 3.98Å; I401-F483 HydrophobicContact CG1-CE1 4.18Å; I401-F483 HydrophobicContact CG2-CE1 4.39Å; I401-F483 HydrophobicContact CG2-CZ 4.17Å; F405-F483 HydrophobicContact CD2-CZ 4.22Å; F405-F483 HydrophobicContact CE2-CE1 4.08Å; F405-F483 HydrophobicContact CE2-CE2 4.18Å; F405-F483 AromaticContact CE2-CZ 3.42Å; F405-F483 HydrophobicContact CE2-CZ 3.42Å; F405-F483 VanDerWaalsContact CE2-CZ 3.42Å; F405-F483 HydrophobicContact CZ-CE2 4.19Å; F405-F483 AromaticContact CZ-CZ 3.87Å; F405-F483 HydrophobicContact CZ-CZ 3.87Å; V481-F483 HydrophobicContact CG1-CD2 3.96Å; V481-F483 HydrophobicContact CG1-CE2 3.5Å; V481-F483 VanDerWaalsContact CG1-CE2 3.5Å; V481-F483 HydrophobicContact CG1-CZ 4.31Å; F483-V486 HydrophobicContact CB-CG1 3.62Å; F483-F496 AromaticContact CD1-CE2 3.99Å; F483-F496 HydrophobicContact CD1-CE2 3.99Å; F483-F496 HydrophobicContact CD1-CZ 4.19Å; F483-F496 HydrophobicContact CE1-CE2 4.31Å; F483-L500 HydrophobicContact CD2-CD1 4.18Å; F483-L500 HydrophobicContact CE2-CD1 3.84Å; F483-L500 HydrophobicContact CZ-CD1 4.03Å; F483-L503 HydrophobicContact CE2-CD2 3.49Å; F483-L503 VanDerWaalsContact CE2-CD2 3.49Å; F483-L503 HydrophobicContact CZ-CD2 3.45Å; F483-L503 VanDerWaalsContact CZ-CD2 3.45Å; F483-V511 HydrophobicContact CD2-CG1 3.79Å; F483-V511 HydrophobicContact CE2-CG1 3.89Å; F483-I512 PolarHBondContact N-O 3.35Å; F483-L513 HydrophobicContact CB-CD2 3.78Å; F483-L513 HydrophobicContact CD2-CD2 4.28Å; F483-L513 HydrophobicContact CG-CD2 4.22Å; F483-L513 CarbonylContact O-C 3.4Å; F483-L513 WeakPolarHBondContact O-CA 3.46Å; F483-T514 PolarHBondContact O-N 2.99Å
484	D	91.5	Very high	78.1	Confident	4 Å²	4	39.5 Å²	39.5	2%	0.021	19%	0.194	C	C	.	.			trans	-85.5	135.3	-176.4	-158.6	35.6	0	0	0	109.9	S373 E389 L390 R396 T514 R917	S373-D484 PolarHBondContact OG-OD1 3.32Å; E389-D484 HydrophobicContact CG-CB 4.34Å; L390-D484 PolarHBondContact O-N 3.46Å; R396-D484 PolarHBondContact NH1-O 2.89Å; D484-T514 VanDerWaalsContact CA-OG1 3.24Å; D484-T514 WeakPolarHBondContact CA-OG1 3.31Å; D484-T514 PolarHBondContact OD1-OG1 3.2Å; D484-R917 IonicContact OD2-CZ 3.9Å; D484-R917 IonicContact OD2-NH2 3.4Å; D484-R917 PolarHBondContact OD2-NH2 3.44Å
485	E	89.4	Confident	80.9	Confident	9 Å²	9	36.1 Å²	36.1	4%	0.042	18%	0.184	C	C	.	.			trans	52.4	67.7	176.2	-67.4	173.2	-161.5	0	0	113.1	P392 R396 D487 V488 T514 H913 R917	P392-E485 HydrophobicContact CB-CB 4.49Å; P392-E485 HydrophobicContact CG-CB 4.11Å; P392-E485 WeakPolarHBondContact CG-OE2 3.37Å; R396-E485 PolarHBondContact NH2-O 3.28Å; E485-D487 VanDerWaalsContact C-N 3.32Å; E485-D487 VanDerWaalsContact C-OD1 3.29Å; E485-D487 WeakPolarHBondContact CA-OD1 3.44Å; E485-V488 HydrophobicContact CB-CB 4.28Å; E485-V488 HydrophobicContact CB-CG2 3.79Å; E485-V488 WeakPolarHBondContact O-CB 3.43Å; E485-V488 PolarHBondContact O-N 2.93Å; E485-T514 CarbonylContact C-O 3.55Å; E485-T514 VanDerWaalsContact CA-O 3.23Å; E485-T514 WeakPolarHBondContact CA-O 3.04Å; E485-T514 PolarHBondContact N-O 2.85Å; E485-T514 PolarHBondContact N-OG1 3.01Å; E485-H913 IonicContact OE2-CE1 2.76Å; E485-R917 IonicContact OE1-CZ 2.69Å; E485-R917 VanDerWaalsContact OE1-CZ 3.26Å; E485-R917 IonicContact OE1-NE 2.69Å; E485-R917 PolarHBondContact OE1-NE 3.39Å; E485-R917 IonicContact OE1-NH2 2.88Å; E485-R917 PolarHBondContact OE1-NH2 2.98Å; E485-R917 IonicContact OE2-NE 3.23Å; E485-R917 PolarHBondContact OE2-NE 3.37Å; E485-R917 IonicContact OE2-NH2 3.27Å
486	V	90.6	Very high	83.3	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-10.9	-179.7	-59.4	0	0	0	0	114.4	L363 F483 F496 W497 L513 T514 A515 V520	L363-V486 HydrophobicContact CD1-CG2 4.38Å; F483-V486 HydrophobicContact CB-CG1 3.62Å; V486-F496 HydrophobicContact CB-CE1 4.08Å; V486-F496 HydrophobicContact CB-CZ 3.99Å; V486-F496 HydrophobicContact CG1-CE1 4.28Å; V486-F496 HydrophobicContact CG1-CZ 3.73Å; V486-W497 HydrophobicContact CB-CH2 4.06Å; V486-W497 HydrophobicContact CB-CZ2 4.47Å; V486-W497 HydrophobicContact CG2-CH2 3.84Å; V486-W497 HydrophobicContact CG2-CZ2 4.5Å; V486-L513 HydrophobicContact CG1-CB 4.48Å; V486-L513 HydrophobicContact CG1-CD2 3.73Å; V486-L513 HydrophobicContact CG2-CB 4.42Å; V486-L513 HydrophobicContact CG2-CD2 4.49Å; V486-T514 PolarHBondContact N-O 3.24Å; V486-A515 HydrophobicContact CG2-CB 4.18Å; V486-V520 HydrophobicContact CG2-CG1 3.66Å
487	D	88.6	Confident	85.2	Confident	46 Å²	46	35.3 Å²	35.3	25%	0.246	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-23.5	162.3	42.3	-20.7	0	0	0	112.1	E485 L489 A515 S516 D517 V520	E485-D487 VanDerWaalsContact C-N 3.32Å; E485-D487 VanDerWaalsContact C-OD1 3.29Å; E485-D487 WeakPolarHBondContact CA-OD1 3.44Å; D487-L489 PolarHBondContact O-N 3.43Å; D487-A515 HydrophobicContact CB-CB 4.41Å; D487-A515 WeakPolarHBondContact OD1-CA 3.35Å; D487-S516 WeakPolarHBondContact OD2-CA 3.35Å; D487-S516 WeakPolarHBondContact OD2-CB 3.28Å; D487-S516 PolarHBondContact OD2-N 3.3Å; D487-D517 HydrophobicContact CB-CB 4.09Å; D487-D517 PolarHBondContact OD2-N 2.72Å; D487-V520 HydrophobicContact CB-CG2 3.55Å
488	V	85.5	Confident	86.8	Confident	12 Å²	12	36.9 Å²	36.9	7%	0.073	19%	0.188	C	C	.	.			trans	-95.9	92.2	-174.6	-174.1	0	0	0	0	110.3	P392 R396 E485 F490 H913	P392-V488 HydrophobicContact CB-CB 4.28Å; P392-V488 HydrophobicContact CB-CG1 4.11Å; R396-V488 PolarHBondContact NH2-O 2.95Å; E485-V488 HydrophobicContact CB-CB 4.28Å; E485-V488 HydrophobicContact CB-CG2 3.79Å; E485-V488 WeakPolarHBondContact O-CB 3.43Å; E485-V488 PolarHBondContact O-N 2.93Å; V488-F490 HydrophobicContact CG1-CE2 3.64Å; V488-F490 HydrophobicContact CG1-CZ 3.97Å; V488-H913 WeakPolarHBondContact CG1-CD2 3.49Å; V488-H913 VanDerWaalsContact CG1-CE1 3.43Å; V488-H913 WeakPolarHBondContact CG1-CE1 3.14Å; V488-H913 WeakPolarHBondContact CG1-NE2 3.19Å; V488-H913 WeakPolarHBondContact CG2-CE1 3.24Å; V488-H913 WeakPolarHBondContact CG2-NE2 3.43Å
489	L	84.1	Confident	87.3	Confident	63 Å²	63	35.5 Å²	35.5	33%	0.33	18%	0.18	S	C	.	.			trans	-121.7	132.2	-179	-60.5	176.8	0	0	0	111.2	D487 D493 F496 W497	D487-L489 PolarHBondContact O-N 3.43Å; L489-D493 HydrophobicContact CD2-CB 4.29Å; L489-F496 HydrophobicContact CD1-CB 4.38Å; L489-F496 HydrophobicContact CD1-CD1 3.84Å; L489-F496 HydrophobicContact CD1-CG 4.28Å; L489-F496 HydrophobicContact CD2-CB 3.96Å; L489-F496 HydrophobicContact CD2-CD1 3.64Å; L489-F496 HydrophobicContact CD2-CD2 3.83Å; L489-F496 HydrophobicContact CD2-CE1 4.09Å; L489-F496 HydrophobicContact CD2-CE2 4.27Å; L489-F496 HydrophobicContact CD2-CG 3.52Å; L489-F496 HydrophobicContact CD2-CZ 4.4Å; L489-F496 HydrophobicContact CG-CD1 4.41Å; L489-W497 HydrophobicContact CD1-CZ2 4.31Å; L489-W497 VanDerWaalsContact CD1-NE1 3.26Å
490	F	81.5	Confident	87.6	Confident	65 Å²	65	35.4 Å²	35.4	29%	0.285	18%	0.179	S	C	.	.			trans	-102.6	166.6	178.2	-61.1	-95.2	0	0	0	110.8	V488 S492 D493 R910 H913	V488-F490 HydrophobicContact CG1-CE2 3.64Å; V488-F490 HydrophobicContact CG1-CZ 3.97Å; F490-S492 PolarHBondContact O-N 3Å; F490-D493 PolarHBondContact N-OD2 3.02Å; F490-D493 VanDerWaalsContact N-OD2 3.1Å; F490-D493 WeakPolarHBondContact O-CA 3.39Å; F490-D493 WeakPolarHBondContact O-CB 3.46Å; F490-D493 PolarHBondContact O-N 2.9Å; F490-R910 HydrophobicContact CD1-CG 4.16Å; F490-R910 HydrophobicContact CD2-CG 4.1Å; F490-R910 HydrophobicContact CE1-CB 4.03Å; F490-R910 HydrophobicContact CE1-CG 3.92Å; F490-R910 HydrophobicContact CE2-CB 4.03Å; F490-R910 HydrophobicContact CE2-CG 3.84Å; F490-R910 HydrophobicContact CG-CG 4.24Å; F490-R910 HydrophobicContact CZ-CB 3.62Å; F490-R910 HydrophobicContact CZ-CG 3.75Å; F490-H913 HydrophobicContact CZ-CB 4.01Å
491	E	76.7	Confident	87.5	Confident	156 Å²	156	36.4 Å²	36.4	73%	0.729	19%	0.187	S	C	*	.	G	3₁₀ helix	trans	-57.2	-26.3	176.3	-65.6	-169.3	-179.6	0	0	113.7	D493 R494	E491-D493 VanDerWaalsContact C-N 3.27Å; E491-D493 PolarHBondContact O-N 3.26Å; E491-R494 WeakPolarHBondContact O-CD 3.43Å; E491-R494 WeakPolarHBondContact O-CG 3.22Å; E491-R494 PolarHBondContact O-NE 3.33Å
492	S	78	Confident	87.2	Confident	28 Å²	28	38.8 Å²	38.8	20%	0.196	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-76.2	-13.1	175.8	48.7	0	0	0	0	113.7	S397 F490 R494 R910	S397-S492 WeakPolarHBondContact CB-O 3.44Å; F490-S492 PolarHBondContact O-N 3Å; S492-R494 VanDerWaalsContact C-N 3.27Å; S492-R494 PolarHBondContact O-N 3.13Å; S492-R910 PolarHBondContact OG-NH2 3.16Å
493	D	85.5	Confident	86.7	Confident	5 Å²	5	39.1 Å²	39.1	3%	0.027	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-90.8	21.4	177.7	-59.3	-33.9	0	0	0	112.6	R396 L489 F490 E491 G495 F496 R910	R396-D493 WeakPolarHBondContact CA-OD1 3.42Å; R396-D493 PolarHBondContact N-OD1 3.18Å; L489-D493 HydrophobicContact CD2-CB 4.29Å; F490-D493 PolarHBondContact N-OD2 3.02Å; F490-D493 VanDerWaalsContact N-OD2 3.1Å; F490-D493 WeakPolarHBondContact O-CA 3.39Å; F490-D493 WeakPolarHBondContact O-CB 3.46Å; F490-D493 PolarHBondContact O-N 2.9Å; E491-D493 VanDerWaalsContact C-N 3.27Å; E491-D493 PolarHBondContact O-N 3.26Å; D493-G495 PolarHBondContact O-N 3.03Å; D493-F496 HydrophobicContact CB-CB 4.45Å; D493-F496 VanDerWaalsContact O-CB 3.27Å; D493-F496 WeakPolarHBondContact O-CB 3.48Å; D493-F496 PolarHBondContact O-N 3.23Å; D493-R910 IonicContact OD1-CZ 3.95Å; D493-R910 IonicContact OD1-NH1 3.04Å; D493-R910 PolarHBondContact OD1-NH1 3.32Å; D493-R910 IonicContact OD1-NH2 3.28Å; D493-R910 PolarHBondContact OD1-NH2 3.39Å; D493-R910 IonicContact OD2-CZ 3.18Å; D493-R910 VanDerWaalsContact OD2-CZ 3.28Å; D493-R910 IonicContact OD2-NH1 3.55Å; D493-R910 PolarHBondContact OD2-NH1 3.3Å; D493-R910 IonicContact OD2-NH2 2.71Å; D493-R910 PolarHBondContact OD2-NH2 3.24Å
494	R	86.2	Confident	86.3	Confident	190 Å²	190	39.4 Å²	39.4	72%	0.717	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49	130.5	176.6	-81.2	167.9	-163.2	-149.6	5.9	111.5	G398 E491 S492 F496	G398-R494 PolarHBondContact N-O 3.2Å; E491-R494 WeakPolarHBondContact O-CD 3.43Å; E491-R494 WeakPolarHBondContact O-CG 3.22Å; E491-R494 PolarHBondContact O-NE 3.33Å; S492-R494 VanDerWaalsContact C-N 3.27Å; S492-R494 PolarHBondContact O-N 3.13Å; R494-F496 VanDerWaalsContact C-N 3.35Å
495	G	89.9	Confident	85.7	Confident	36 Å²	36	45 Å²	45	37%	0.371	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	14.5	-177.6	0	0	0	0	0	114.9	G398 D493 W497 S498 G499	G398-G495 WeakPolarHBondContact CA-O 3.04Å; D493-G495 PolarHBondContact O-N 3.03Å; G495-W497 PolarHBondContact O-N 3.01Å; G495-S498 WeakPolarHBondContact CA-OG 3.2Å; G495-S498 PolarHBondContact O-N 3.16Å; G495-S498 PolarHBondContact O-OG 2.53Å; G495-G499 PolarHBondContact O-N 2.66Å
496	F	91.9	Very high	85	Confident	3 Å²	3	50.1 Å²	50.1	1%	0.013	26%	0.26	C	S	.	.	H	α-helix	trans	-48.1	-57.2	175.7	172.8	-95.5	0	0	0	112.4	R396 I401 F483 V486 L489 D493 R494 S498 G499 L500	R396-F496 HydrophobicContact CB-CD2 4.02Å; R396-F496 HydrophobicContact CB-CE2 4.27Å; R396-F496 WeakPolarHBondContact O-CD2 3.4Å; I401-F496 HydrophobicContact CD1-CD2 3.44Å; I401-F496 VanDerWaalsContact CD1-CD2 3.44Å; I401-F496 HydrophobicContact CD1-CE2 3.7Å; I401-F496 HydrophobicContact CD1-CG 4.3Å; F483-F496 AromaticContact CD1-CE2 3.99Å; F483-F496 HydrophobicContact CD1-CE2 3.99Å; F483-F496 HydrophobicContact CD1-CZ 4.19Å; F483-F496 HydrophobicContact CE1-CE2 4.31Å; V486-F496 HydrophobicContact CB-CE1 4.08Å; V486-F496 HydrophobicContact CB-CZ 3.99Å; V486-F496 HydrophobicContact CG1-CE1 4.28Å; V486-F496 HydrophobicContact CG1-CZ 3.73Å; L489-F496 HydrophobicContact CD1-CB 4.38Å; L489-F496 HydrophobicContact CD1-CD1 3.84Å; L489-F496 HydrophobicContact CD1-CG 4.28Å; L489-F496 HydrophobicContact CD2-CB 3.96Å; L489-F496 HydrophobicContact CD2-CD1 3.64Å; L489-F496 HydrophobicContact CD2-CD2 3.83Å; L489-F496 HydrophobicContact CD2-CE1 4.09Å; L489-F496 HydrophobicContact CD2-CE2 4.27Å; L489-F496 HydrophobicContact CD2-CG 3.52Å; L489-F496 HydrophobicContact CD2-CZ 4.4Å; L489-F496 HydrophobicContact CG-CD1 4.41Å; D493-F496 HydrophobicContact CB-CB 4.45Å; D493-F496 VanDerWaalsContact O-CB 3.27Å; D493-F496 WeakPolarHBondContact O-CB 3.48Å; D493-F496 PolarHBondContact O-N 3.23Å; R494-F496 VanDerWaalsContact C-N 3.35Å; F496-S498 PolarHBondContact O-N 3.38Å; F496-G499 PolarHBondContact O-N 3.28Å; F496-L500 HydrophobicContact CE1-CD2 4.11Å; F496-L500 HydrophobicContact CZ-CD2 4.28Å; F496-L500 WeakPolarHBondContact O-CB 3.47Å; F496-L500 PolarHBondContact O-N 3.18Å
497	W	91.3	Very high	84.2	Confident	51 Å²	51	50.2 Å²	50.2	19%	0.193	26%	0.26	C	S	.	.	H	α-helix	trans	-64.2	-36	-177	-67.4	111.3	0	0	0	113.7	V486 L489 G495 L500 S501 V520 N523 L524	V486-W497 HydrophobicContact CB-CH2 4.06Å; V486-W497 HydrophobicContact CB-CZ2 4.47Å; V486-W497 HydrophobicContact CG2-CH2 3.84Å; V486-W497 HydrophobicContact CG2-CZ2 4.5Å; L489-W497 HydrophobicContact CD1-CZ2 4.31Å; L489-W497 VanDerWaalsContact CD1-NE1 3.26Å; G495-W497 PolarHBondContact O-N 3.01Å; W497-L500 HydrophobicContact CE3-CD2 3.89Å; W497-L500 HydrophobicContact CZ3-CD2 3.73Å; W497-S501 WeakPolarHBondContact O-CB 3.25Å; W497-S501 PolarHBondContact O-N 3.17Å; W497-V520 HydrophobicContact CH2-CG1 3.58Å; W497-V520 HydrophobicContact CZ2-CG1 4.05Å; W497-N523 HydrophobicContact CD2-CB 3.9Å; W497-N523 HydrophobicContact CE3-CB 4.22Å; W497-N523 HydrophobicContact CG-CB 4.46Å; W497-N523 HydrophobicContact CH2-CB 4.29Å; W497-N523 HydrophobicContact CZ2-CB 3.92Å; W497-N523 HydrophobicContact CZ3-CB 4.4Å; W497-L524 HydrophobicContact CZ3-CD2 4.36Å
498	S	88.9	Confident	83.6	Confident	74 Å²	74	55 Å²	55	52%	0.517	28%	0.275	S	S	.	.	H	α-helix	trans	-71.2	-39.3	175.7	57.4	0	0	0	0	111.6	G495 F496 S501 S502	G495-S498 WeakPolarHBondContact CA-OG 3.2Å; G495-S498 PolarHBondContact O-N 3.16Å; G495-S498 PolarHBondContact O-OG 2.53Å; F496-S498 PolarHBondContact O-N 3.38Å; S498-S501 WeakPolarHBondContact O-CB 3.35Å; S498-S501 PolarHBondContact O-N 3.39Å; S498-S502 PolarHBondContact O-N 3.15Å; S498-S502 VanDerWaalsContact O-N 3.12Å; S498-S502 PolarHBondContact O-OG 2.79Å
499	G	88	Confident	83.3	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.8	-44.6	171.8	0	0	0	0	0	112.3	G495 F496 S501 S502 L503	G495-G499 PolarHBondContact O-N 2.66Å; F496-G499 PolarHBondContact O-N 3.28Å; G499-S501 VanDerWaalsContact C-N 3.33Å; G499-S501 PolarHBondContact O-N 3.11Å; G499-S502 PolarHBondContact O-N 3.38Å; G499-L503 WeakPolarHBondContact O-CB 3.28Å; G499-L503 PolarHBondContact O-N 3.26Å
500	L	89.1	Confident	83.5	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.2	-36.9	175	-178.1	62.7	0	0	0	112	F483 F496 W497 L503 L504 L513	F483-L500 HydrophobicContact CD2-CD1 4.18Å; F483-L500 HydrophobicContact CE2-CD1 3.84Å; F483-L500 HydrophobicContact CZ-CD1 4.03Å; F496-L500 HydrophobicContact CE1-CD2 4.11Å; F496-L500 HydrophobicContact CZ-CD2 4.28Å; F496-L500 WeakPolarHBondContact O-CB 3.47Å; F496-L500 PolarHBondContact O-N 3.18Å; W497-L500 HydrophobicContact CE3-CD2 3.89Å; W497-L500 HydrophobicContact CZ3-CD2 3.73Å; L500-L503 HydrophobicContact CD1-CD2 3.9Å; L500-L503 WeakPolarHBondContact O-CB 3.37Å; L500-L503 PolarHBondContact O-N 3.44Å; L500-L504 HydrophobicContact CD1-CD1 4.12Å; L500-L504 HydrophobicContact CD1-CG 4.06Å; L500-L504 HydrophobicContact CG-CD1 3.92Å; L500-L504 HydrophobicContact CG-CG 4.3Å; L500-L504 WeakPolarHBondContact O-CB 3.49Å; L500-L504 VanDerWaalsContact O-CG 3.27Å; L500-L504 WeakPolarHBondContact O-CG 3.43Å; L500-L504 PolarHBondContact O-N 3.09Å; L500-L513 HydrophobicContact CD1-CD2 4.33Å; L500-L513 HydrophobicContact CD2-CD2 3.67Å
501	S	86	Confident	83.9	Confident	22 Å²	22	49.5 Å²	49.5	15%	0.154	25%	0.246	C	C	.	.	H	α-helix	trans	-59.6	-53	173.9	-174.7	0	0	0	0	111.7	W497 S498 G499 L503 L504 Q505 P525	W497-S501 WeakPolarHBondContact O-CB 3.25Å; W497-S501 PolarHBondContact O-N 3.17Å; S498-S501 WeakPolarHBondContact O-CB 3.35Å; S498-S501 PolarHBondContact O-N 3.39Å; G499-S501 VanDerWaalsContact C-N 3.33Å; G499-S501 PolarHBondContact O-N 3.11Å; S501-L503 PolarHBondContact O-N 3.12Å; S501-L504 PolarHBondContact O-N 3.26Å; S501-Q505 WeakPolarHBondContact O-CG 3.29Å; S501-Q505 PolarHBondContact O-N 3.48Å; S501-Q505 VanDerWaalsContact O-N 3.08Å; S501-Q505 PolarHBondContact OG-NE2 2.89Å; S501-P525 VanDerWaalsContact CB-CB 3.45Å; S501-P525 WeakPolarHBondContact OG-CB 3.13Å
502	S	82.6	Confident	84.7	Confident	50 Å²	50	42 Å²	42	35%	0.35	21%	0.212	S	C	.	.	H	α-helix	trans	-58.6	-40.3	177	-59.2	0	0	0	0	111.5	S498 G499 L506	S498-S502 PolarHBondContact O-N 3.15Å; S498-S502 VanDerWaalsContact O-N 3.12Å; S498-S502 PolarHBondContact O-OG 2.79Å; G499-S502 PolarHBondContact O-N 3.38Å; S502-L506 WeakPolarHBondContact O-CG 3.37Å; S502-L506 PolarHBondContact O-N 3.47Å
503	L	83.5	Confident	85.5	Confident	7 Å²	7	40.7 Å²	40.7	4%	0.037	20%	0.202	C	C	.	.	H	α-helix	trans	-59.6	-53.4	175.8	-173.6	84	0	0	0	112.1	I401 F405 L409 F483 G499 L500 S501 Q505 L506 A507	I401-L503 HydrophobicContact CG2-CB 4.35Å; I401-L503 HydrophobicContact CG2-CD1 4.23Å; I401-L503 HydrophobicContact CG2-CD2 4.18Å; F405-L503 HydrophobicContact CB-CD1 3.03Å; F405-L503 HydrophobicContact CB-CG 4.47Å; F405-L503 HydrophobicContact CD1-CD1 4.15Å; F405-L503 HydrophobicContact CD2-CD1 3.64Å; F405-L503 HydrophobicContact CD2-CD2 4.18Å; F405-L503 HydrophobicContact CE2-CD2 4.39Å; F405-L503 HydrophobicContact CG-CD1 3.37Å; F405-L503 HydrophobicContact CG-CD2 4.42Å; L409-L503 HydrophobicContact CD1-CD1 3.2Å; L409-L503 HydrophobicContact CD1-CG 3.73Å; L409-L503 HydrophobicContact CG-CD1 4.24Å; F483-L503 HydrophobicContact CE2-CD2 3.49Å; F483-L503 VanDerWaalsContact CE2-CD2 3.49Å; F483-L503 HydrophobicContact CZ-CD2 3.45Å; F483-L503 VanDerWaalsContact CZ-CD2 3.45Å; G499-L503 WeakPolarHBondContact O-CB 3.28Å; G499-L503 PolarHBondContact O-N 3.26Å; L500-L503 HydrophobicContact CD1-CD2 3.9Å; L500-L503 WeakPolarHBondContact O-CB 3.37Å; L500-L503 PolarHBondContact O-N 3.44Å; S501-L503 PolarHBondContact O-N 3.12Å; L503-Q505 VanDerWaalsContact C-N 3.28Å; L503-Q505 PolarHBondContact O-N 2.75Å; L503-L506 CarbonylContact O-C 3.45Å; L503-L506 PolarHBondContact O-N 2.82Å; L503-L506 VanDerWaalsContact O-N 3.09Å; L503-A507 WeakPolarHBondContact O-CA 3.08Å; L503-A507 VanDerWaalsContact O-CB 3.32Å; L503-A507 WeakPolarHBondContact O-CB 3.4Å; L503-A507 PolarHBondContact O-N 3.09Å
504	L	83.5	Confident	86	Confident	6 Å²	6	40.5 Å²	40.5	3%	0.031	20%	0.201	C	C	.	.	H	α-helix	trans	-65	-33.5	-175.7	-72.5	172.3	0	0	0	111.9	K360 A361 L500 S501 L506 A507 V511 P525 V526	K360-L504 WeakPolarHBondContact CD-O 3.28Å; K360-L504 PolarHBondContact NZ-O 3.47Å; A361-L504 HydrophobicContact CB-CD1 4.08Å; A361-L504 HydrophobicContact CB-CD2 3.84Å; L500-L504 HydrophobicContact CD1-CD1 4.12Å; L500-L504 HydrophobicContact CD1-CG 4.06Å; L500-L504 HydrophobicContact CG-CD1 3.92Å; L500-L504 HydrophobicContact CG-CG 4.3Å; L500-L504 WeakPolarHBondContact O-CB 3.49Å; L500-L504 VanDerWaalsContact O-CG 3.27Å; L500-L504 WeakPolarHBondContact O-CG 3.43Å; L500-L504 PolarHBondContact O-N 3.09Å; S501-L504 PolarHBondContact O-N 3.26Å; L504-L506 VanDerWaalsContact C-N 3.31Å; L504-L506 PolarHBondContact O-N 3.21Å; L504-A507 PolarHBondContact O-N 3.44Å; L504-V511 HydrophobicContact CD2-CB 3.69Å; L504-V511 HydrophobicContact CD2-CG1 3.88Å; L504-V511 HydrophobicContact CD2-CG2 3.76Å; L504-P525 HydrophobicContact CD1-CG 4.45Å; L504-V526 HydrophobicContact CB-CG2 3.68Å; L504-V526 HydrophobicContact CD1-CG2 3.39Å; L504-V526 HydrophobicContact CG-CG2 4.16Å
505	Q	79.4	Confident	86.3	Confident	123 Å²	123	31.4 Å²	31.4	58%	0.575	17%	0.167	S	C	*	.	H	α-helix	trans	-60.6	-42.4	172.8	-69.8	173.9	31.5	0	0	111.3	K360 S501 L503	K360-Q505 PolarHBondContact NZ-O 3.38Å; S501-Q505 WeakPolarHBondContact O-CG 3.29Å; S501-Q505 PolarHBondContact O-N 3.48Å; S501-Q505 VanDerWaalsContact O-N 3.08Å; S501-Q505 PolarHBondContact OG-NE2 2.89Å; L503-Q505 VanDerWaalsContact C-N 3.28Å; L503-Q505 PolarHBondContact O-N 2.75Å
506	L	75	Confident	86.2	Confident	116 Å²	116	30.8 Å²	30.8	61%	0.607	16%	0.156	S	C	*	.	H	α-helix	trans	-87.7	-16.5	-178.5	-61.6	175.9	0	0	0	114.3	S502 L503 L504 R508	S502-L506 WeakPolarHBondContact O-CG 3.37Å; S502-L506 PolarHBondContact O-N 3.47Å; L503-L506 CarbonylContact O-C 3.45Å; L503-L506 PolarHBondContact O-N 2.82Å; L503-L506 VanDerWaalsContact O-N 3.09Å; L504-L506 VanDerWaalsContact C-N 3.31Å; L504-L506 PolarHBondContact O-N 3.21Å; L506-R508 PolarHBondContact O-N 3.37Å
507	A	73.1	Confident	85.9	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.008	18%	0.175	C	C	.	.			trans	-60.8	129.3	-169.6	0	0	0	0	0	112.6	K360 L409 L503 L504 V511	K360-A507 HydrophobicContact CD-CB 4.29Å; K360-A507 VanDerWaalsContact CD-O 3.27Å; K360-A507 WeakPolarHBondContact CD-O 3.19Å; K360-A507 WeakPolarHBondContact CE-O 3.23Å; K360-A507 PolarHBondContact NZ-O 3.05Å; L409-A507 HydrophobicContact CD1-CB 4.16Å; L409-A507 HydrophobicContact CD2-CB 4.17Å; L503-A507 WeakPolarHBondContact O-CA 3.08Å; L503-A507 VanDerWaalsContact O-CB 3.32Å; L503-A507 WeakPolarHBondContact O-CB 3.4Å; L503-A507 PolarHBondContact O-N 3.09Å; L504-A507 PolarHBondContact O-N 3.44Å; A507-V511 HydrophobicContact CB-CG2 4.01Å
508	R	75.8	Confident	85.7	Confident	147 Å²	147	35.1 Å²	35.1	56%	0.555	19%	0.189	S	C	*	.			trans	-108.6	8.5	172.9	-61.6	178.9	70.8	143.1	-0.6	112.5	L506	L506-R508 PolarHBondContact O-N 3.37Å
509	R	78.9	Confident	85.6	Confident	24 Å²	24	34 Å²	34	9%	0.091	18%	0.182	C	C	.	.	S	Bend	trans	-128.1	151.4	-177.6	-65.7	172.3	179.9	-75.5	-3.4	108.6	A408 L409 C477 S479 V511	A408-R509 PolarHBondContact O-NE 2.94Å; L409-R509 HydrophobicContact CD2-CB 4.48Å; C477-R509 PolarHBondContact O-NH1 2.8Å; S479-R509 VanDerWaalsContact OG-CD 3.29Å; S479-R509 WeakPolarHBondContact OG-CD 3.42Å; S479-R509 PolarHBondContact OG-NH1 3.19Å; R509-V511 PolarHBondContact O-N 3.46Å
510	P	88.7	Confident	85.5	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.182	C	C	.	.			trans	-60.5	130.2	174	23.5	-32.1	0	0	0	110.5	W240 L241 W244 F385 S479 I480 V481	W240-P510 HydrophobicContact CH2-CB 3.48Å; W240-P510 VanDerWaalsContact CH2-CB 3.48Å; W240-P510 HydrophobicContact CZ2-CB 4.32Å; W240-P510 HydrophobicContact CZ3-CB 3.67Å; L241-P510 HydrophobicContact CD2-CB 4.19Å; L241-P510 HydrophobicContact CD2-CG 4.34Å; W244-P510 HydrophobicContact CB-CG 4.48Å; W244-P510 HydrophobicContact CD2-CB 4.08Å; W244-P510 HydrophobicContact CD2-CG 4.31Å; W244-P510 HydrophobicContact CG-CB 4.04Å; W244-P510 HydrophobicContact CG-CG 4.24Å; F385-P510 HydrophobicContact CE1-CG 4.22Å; S479-P510 WeakPolarHBondContact O-CD 3.45Å; S479-P510 WeakPolarHBondContact O-CG 3.47Å; I480-P510 HydrophobicContact CB-CG 4.47Å; I480-P510 HydrophobicContact CG1-CG 3.82Å; V481-P510 PolarHBondContact N-O 2.87Å
511	V	90.3	Very high	85.3	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	122.5	174.9	-175.4	0	0	0	0	108.5	K360 A361 F362 V481 F483 L504 A507 R509	K360-V511 PolarHBondContact O-N 3.04Å; A361-V511 CarbonylContact C-O 3.52Å; A361-V511 VanDerWaalsContact CA-O 3.29Å; A361-V511 WeakPolarHBondContact CA-O 3.44Å; F362-V511 PolarHBondContact N-O 3.04Å; V481-V511 HydrophobicContact CB-CG2 4.22Å; V481-V511 HydrophobicContact CG1-CG1 4.42Å; V481-V511 CarbonylContact O-C 3.14Å; V481-V511 WeakPolarHBondContact O-CA 3.39Å; F483-V511 HydrophobicContact CD2-CG1 3.79Å; F483-V511 HydrophobicContact CE2-CG1 3.89Å; L504-V511 HydrophobicContact CD2-CB 3.69Å; L504-V511 HydrophobicContact CD2-CG1 3.88Å; L504-V511 HydrophobicContact CD2-CG2 3.76Å; A507-V511 HydrophobicContact CB-CG2 4.01Å; R509-V511 PolarHBondContact O-N 3.46Å
512	I	94.1	Very high	85.2	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	138.4	175.9	-54.8	179	0	0	0	108.8	L237 W240 L241 F362 L364 I376 I480 V481 L482 F483	L237-I512 HydrophobicContact CD1-CD1 4.02Å; W240-I512 HydrophobicContact CH2-CG1 4.48Å; W240-I512 HydrophobicContact CZ3-CD1 4.37Å; W240-I512 HydrophobicContact CZ3-CG1 3.98Å; L241-I512 HydrophobicContact CD2-CD1 4.35Å; F362-I512 HydrophobicContact CB-CG1 4.39Å; F362-I512 CarbonylContact O-C 3.58Å; F362-I512 VanDerWaalsContact O-CA 3.27Å; F362-I512 WeakPolarHBondContact O-CA 3.49Å; L364-I512 HydrophobicContact CD1-CG2 4.35Å; L364-I512 HydrophobicContact CG-CG2 4.45Å; I376-I512 HydrophobicContact CD1-CG2 3.69Å; I376-I512 HydrophobicContact CG1-CD1 4.38Å; I376-I512 HydrophobicContact CG1-CG2 4.05Å; I376-I512 HydrophobicContact CG2-CD1 4.13Å; I480-I512 HydrophobicContact CG2-CB 4.43Å; I480-I512 HydrophobicContact CG2-CD1 3.76Å; I480-I512 HydrophobicContact CG2-CG1 3.91Å; V481-I512 PolarHBondContact O-N 2.91Å; L482-I512 CarbonylContact C-O 3.42Å; L482-I512 WeakPolarHBondContact CA-O 3.3Å; L482-I512 HydrophobicContact CD1-CB 4.25Å; L482-I512 HydrophobicContact CD1-CG2 4.25Å; F483-I512 PolarHBondContact N-O 3.35Å
513	L	94.9	Very high	85.2	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	138.4	178.4	-58.5	148.5	0	0	0	107.1	A361 F362 L363 L364 F483 V486 L500 L524	A361-L513 HydrophobicContact CB-CD1 4.23Å; F362-L513 PolarHBondContact O-N 3.41Å; L363-L513 CarbonylContact C-O 3.46Å; L363-L513 WeakPolarHBondContact CA-O 3.33Å; L363-L513 HydrophobicContact CB-CB 4.32Å; L363-L513 HydrophobicContact CB-CD1 4.46Å; L363-L513 HydrophobicContact CD1-CB 3.48Å; L363-L513 VanDerWaalsContact CD1-CB 3.48Å; L363-L513 HydrophobicContact CG-CB 4.5Å; L364-L513 PolarHBondContact N-O 3.38Å; F483-L513 HydrophobicContact CB-CD2 3.78Å; F483-L513 HydrophobicContact CD2-CD2 4.28Å; F483-L513 HydrophobicContact CG-CD2 4.22Å; F483-L513 CarbonylContact O-C 3.4Å; F483-L513 WeakPolarHBondContact O-CA 3.46Å; V486-L513 HydrophobicContact CG1-CB 4.48Å; V486-L513 HydrophobicContact CG1-CD2 3.73Å; V486-L513 HydrophobicContact CG2-CB 4.42Å; V486-L513 HydrophobicContact CG2-CD2 4.49Å; L500-L513 HydrophobicContact CD1-CD2 4.33Å; L500-L513 HydrophobicContact CD2-CD2 3.67Å; L513-L524 HydrophobicContact CD1-CD2 3.82Å
514	T	94.5	Very high	85.2	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	143.3	166.3	68.9	0	0	0	0	109.4	L364 K372 I376 L482 F483 D484 E485 V486	L364-T514 HydrophobicContact CB-CG2 4.5Å; L364-T514 HydrophobicContact CD1-CG2 4.45Å; L364-T514 CarbonylContact O-C 3.51Å; L364-T514 WeakPolarHBondContact O-CA 3.39Å; K372-T514 HydrophobicContact CB-CG2 4.3Å; I376-T514 HydrophobicContact CD1-CG2 3.4Å; I376-T514 VanDerWaalsContact CD1-CG2 3.4Å; L482-T514 HydrophobicContact CD1-CG2 4.1Å; F483-T514 PolarHBondContact O-N 2.99Å; D484-T514 VanDerWaalsContact CA-OG1 3.24Å; D484-T514 WeakPolarHBondContact CA-OG1 3.31Å; D484-T514 PolarHBondContact OD1-OG1 3.2Å; E485-T514 CarbonylContact C-O 3.55Å; E485-T514 VanDerWaalsContact CA-O 3.23Å; E485-T514 WeakPolarHBondContact CA-O 3.04Å; E485-T514 PolarHBondContact N-O 2.85Å; E485-T514 PolarHBondContact N-OG1 3.01Å; V486-T514 PolarHBondContact N-O 3.24Å
515	A	92.7	Very high	84.8	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	152.5	173.3	0	0	0	0	0	109.6	L363 L364 V365 G366 K372 V486 D487 V520	L363-A515 HydrophobicContact CD1-CB 4.13Å; L364-A515 PolarHBondContact O-N 2.93Å; V365-A515 VanDerWaalsContact CA-O 3.31Å; V365-A515 WeakPolarHBondContact CA-O 3.3Å; G366-A515 PolarHBondContact N-O 2.81Å; G366-A515 VanDerWaalsContact N-O 3.12Å; K372-A515 WeakPolarHBondContact CD-O 3.31Å; K372-A515 VanDerWaalsContact CE-O 3.25Å; K372-A515 WeakPolarHBondContact CE-O 3.4Å; V486-A515 HydrophobicContact CG2-CB 4.18Å; D487-A515 HydrophobicContact CB-CB 4.41Å; D487-A515 WeakPolarHBondContact OD1-CA 3.35Å; A515-V520 HydrophobicContact CB-CB 4.18Å; A515-V520 HydrophobicContact CB-CG1 4.21Å; A515-V520 HydrophobicContact CB-CG2 4Å
516	S	88.7	Confident	84.8	Confident	22 Å²	22	43.8 Å²	43.8	15%	0.154	23%	0.232	C	C	.	.	S	Bend	trans	-97	-38.2	170	-51.1	0	0	0	0	111.2	G366 H368 K372 D487	G366-S516 VanDerWaalsContact O-CA 3.26Å; G366-S516 WeakPolarHBondContact O-CA 3.26Å; H368-S516 PolarHBondContact CE1-OG 3.28Å; H368-S516 PolarHBondContact ND1-OG 3.12Å; K372-S516 PolarHBondContact NZ-OG 2.93Å; D487-S516 WeakPolarHBondContact OD2-CA 3.35Å; D487-S516 WeakPolarHBondContact OD2-CB 3.28Å; D487-S516 PolarHBondContact OD2-N 3.3Å
517	D	85.9	Confident	85.1	Confident	77 Å²	77	43.1 Å²	43.1	41%	0.412	24%	0.235	S	C	.	.			trans	-81.4	131.5	172	-174.7	4.3	0	0	0	112.7	D487 S519 V520	D487-D517 HydrophobicContact CB-CB 4.09Å; D487-D517 PolarHBondContact OD2-N 2.72Å; D517-S519 VanDerWaalsContact C-N 3.34Å; D517-S519 WeakPolarHBondContact OD1-CB 3.47Å; D517-S519 PolarHBondContact OD1-N 3.01Å; D517-S519 PolarHBondContact OD1-OG 3.06Å; D517-S519 WeakPolarHBondContact OD2-CB 3.33Å; D517-S519 PolarHBondContact OD2-OG 2.68Å; D517-V520 WeakPolarHBondContact O-CG2 3.41Å
518	S	86.5	Confident	85.7	Confident	69 Å²	69	44 Å²	44	48%	0.483	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-73.8	-20.2	176.2	69.3	0	0	0	0	114.4	V520 V521	S518-V520 PolarHBondContact O-N 3.13Å; S518-V520 VanDerWaalsContact O-N 3.09Å; S518-V521 WeakPolarHBondContact O-CB 3.5Å; S518-V521 VanDerWaalsContact O-CG2 3.31Å; S518-V521 WeakPolarHBondContact O-CG2 3.23Å; S518-V521 PolarHBondContact O-N 3.48Å; S518-V521 VanDerWaalsContact O-N 3.09Å
519	S	85.5	Confident	86.4	Confident	51 Å²	51	42 Å²	42	36%	0.357	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-59.3	-25.3	178.7	79.9	0	0	0	0	112.9	D517 V521 H522	D517-S519 VanDerWaalsContact C-N 3.34Å; D517-S519 WeakPolarHBondContact OD1-CB 3.47Å; D517-S519 PolarHBondContact OD1-N 3.01Å; D517-S519 PolarHBondContact OD1-OG 3.06Å; D517-S519 WeakPolarHBondContact OD2-CB 3.33Å; D517-S519 PolarHBondContact OD2-OG 2.68Å; S519-V521 PolarHBondContact O-N 3Å; S519-V521 VanDerWaalsContact O-N 3.1Å; S519-H522 WeakPolarHBondContact O-CB 3.23Å; S519-H522 PolarHBondContact O-CD2 2.85Å; S519-H522 PolarHBondContact O-N 3.18Å
520	V	86.1	Confident	86.9	Confident	3 Å²	3	43.7 Å²	43.7	2%	0.018	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-53.3	-30.7	175.4	172.1	0	0	0	0	112.9	L363 V486 D487 W497 A515 D517 S518 H522 N523	L363-V520 HydrophobicContact CD2-CG1 4.33Å; V486-V520 HydrophobicContact CG2-CG1 3.66Å; D487-V520 HydrophobicContact CB-CG2 3.55Å; W497-V520 HydrophobicContact CH2-CG1 3.58Å; W497-V520 HydrophobicContact CZ2-CG1 4.05Å; A515-V520 HydrophobicContact CB-CB 4.18Å; A515-V520 HydrophobicContact CB-CG1 4.21Å; A515-V520 HydrophobicContact CB-CG2 4Å; D517-V520 WeakPolarHBondContact O-CG2 3.41Å; S518-V520 PolarHBondContact O-N 3.13Å; S518-V520 VanDerWaalsContact O-N 3.09Å; V520-H522 PolarHBondContact O-N 3.43Å; V520-H522 VanDerWaalsContact O-N 3.16Å; V520-N523 WeakPolarHBondContact O-CB 3.42Å; V520-N523 PolarHBondContact O-N 3.37Å
521	V	84.7	Confident	87	Confident	40 Å²	40	44 Å²	44	24%	0.242	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-54.5	-35.6	178.5	170.6	0	0	0	0	111.5	L363 V365 S518 S519 N523 L524 I530	L363-V521 HydrophobicContact CD2-CG2 3.9Å; V365-V521 HydrophobicContact CG2-CG2 4.25Å; S518-V521 WeakPolarHBondContact O-CB 3.5Å; S518-V521 VanDerWaalsContact O-CG2 3.31Å; S518-V521 WeakPolarHBondContact O-CG2 3.23Å; S518-V521 PolarHBondContact O-N 3.48Å; S518-V521 VanDerWaalsContact O-N 3.09Å; S519-V521 PolarHBondContact O-N 3Å; S519-V521 VanDerWaalsContact O-N 3.1Å; V521-N523 VanDerWaalsContact C-N 3.27Å; V521-N523 PolarHBondContact O-N 3.38Å; V521-L524 PolarHBondContact O-N 3.46Å; V521-I530 HydrophobicContact CB-CD1 4.3Å; V521-I530 HydrophobicContact CG1-CD1 3.45Å; V521-I530 VanDerWaalsContact CG1-CD1 3.45Å; V521-I530 HydrophobicContact CG2-CD1 3.98Å; V521-I530 HydrophobicContact CG2-CG2 4.03Å
522	H	84.5	Confident	87	Confident	163 Å²	163	49.1 Å²	49.1	76%	0.755	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-72.1	-19.9	179.4	-56.9	-55.2	0	0	0	113.8	S519 V520	S519-H522 WeakPolarHBondContact O-CB 3.23Å; S519-H522 PolarHBondContact O-CD2 2.85Å; S519-H522 PolarHBondContact O-N 3.18Å; V520-H522 PolarHBondContact O-N 3.43Å; V520-H522 VanDerWaalsContact O-N 3.16Å
523	N	83.7	Confident	86.8	Confident	82 Å²	82	49.3 Å²	49.3	44%	0.439	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-89.8	-7.2	-179.4	-64.6	-36.8	0	0	0	113	W497 V520 V521 P525	W497-N523 HydrophobicContact CD2-CB 3.9Å; W497-N523 HydrophobicContact CE3-CB 4.22Å; W497-N523 HydrophobicContact CG-CB 4.46Å; W497-N523 HydrophobicContact CH2-CB 4.29Å; W497-N523 HydrophobicContact CZ2-CB 3.92Å; W497-N523 HydrophobicContact CZ3-CB 4.4Å; V520-N523 WeakPolarHBondContact O-CB 3.42Å; V520-N523 PolarHBondContact O-N 3.37Å; V521-N523 VanDerWaalsContact C-N 3.27Å; V521-N523 PolarHBondContact O-N 3.38Å; N523-P525 WeakPolarHBondContact O-CD 3.29Å
524	L	82.9	Confident	86.4	Confident	29 Å²	29	52.9 Å²	52.9	15%	0.152	29%	0.294	C	S	.	.			trans	-63.9	120.6	-178	-73.1	172.7	0	0	0	111	L363 W497 L513 V521 V526 A528 I530	L363-L524 HydrophobicContact CD2-CD1 3.84Å; L363-L524 HydrophobicContact CD2-CD2 4.47Å; L363-L524 HydrophobicContact CD2-CG 4.4Å; W497-L524 HydrophobicContact CZ3-CD2 4.36Å; L513-L524 HydrophobicContact CD1-CD2 3.82Å; V521-L524 PolarHBondContact O-N 3.46Å; L524-V526 VanDerWaalsContact C-N 3.28Å; L524-V526 PolarHBondContact O-N 3.29Å; L524-A528 HydrophobicContact CD1-CB 3.91Å; L524-I530 HydrophobicContact CD1-CD1 4.13Å; L524-I530 HydrophobicContact CD1-CG1 4.26Å
525	P	76	Confident	86	Confident	50 Å²	50	54 Å²	54	33%	0.325	30%	0.302	S	S	.	.	S	Bend	trans	-78.7	-11.9	-174.7	29.3	-33.7	0	0	0	113.9	S501 L504 N523	S501-P525 VanDerWaalsContact CB-CB 3.45Å; S501-P525 WeakPolarHBondContact OG-CB 3.13Å; L504-P525 HydrophobicContact CD1-CG 4.45Å; N523-P525 WeakPolarHBondContact O-CD 3.29Å
526	V	78.3	Confident	85.7	Confident	46 Å²	46	54.8 Å²	54.8	28%	0.279	31%	0.308	S	S	.	.	S	Bend	trans	-144.6	155.5	-178.1	-99.8	0	0	0	0	109.5	L504 L524 A528	L504-V526 HydrophobicContact CB-CG2 3.68Å; L504-V526 HydrophobicContact CD1-CG2 3.39Å; L504-V526 HydrophobicContact CG-CG2 4.16Å; L524-V526 VanDerWaalsContact C-N 3.28Å; L524-V526 PolarHBondContact O-N 3.29Å; V526-A528 PolarHBondContact O-N 2.72Å
527	P	81.1	Confident	85.7	Confident	102 Å²	102	56.2 Å²	56.2	66%	0.662	32%	0.318	S	S	*	.			trans	-53.7	126.8	173.6	-24.6	34.1	0	0	0	111.2	S359	S359-P527 VanDerWaalsContact CB-O 3.25Å; S359-P527 WeakPolarHBondContact CB-O 3.5Å; S359-P527 PolarHBondContact OG-O 2.87Å; S359-P527 VanDerWaalsContact OG-O 3.14Å
528	A	86.4	Confident	85.8	Confident	20 Å²	20	55.3 Å²	55.3	17%	0.165	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	152.7	175.7	0	0	0	0	0	109.4	A361 L524 V526	A361-A528 HydrophobicContact CB-CB 3.66Å; A361-A528 WeakPolarHBondContact O-CA 3.31Å; L524-A528 HydrophobicContact CD1-CB 3.91Å; V526-A528 PolarHBondContact O-N 2.72Å
529	Y	89.9	Confident	86	Confident	103 Å²	103	59.6 Å²	59.6	40%	0.404	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	128.6	163.7	-69.4	-74.4	0	0	0	108.2	W240 A361 F362 L363	W240-Y529 AromaticContact CD1-CD2 3.76Å; W240-Y529 AromaticContact CD1-CE2 3.62Å; W240-Y529 AromaticContact NE1-CD2 3.66Å; W240-Y529 AromaticContact NE1-CE2 3.61Å; A361-Y529 PolarHBondContact O-N 3.09Å; A361-Y529 VanDerWaalsContact O-N 3.08Å; F362-Y529 CarbonylContact C-O 3.5Å; F362-Y529 WeakPolarHBondContact CA-O 3.44Å; F362-Y529 VanDerWaalsContact CD2-CB 3.5Å; F362-Y529 HydrophobicContact CD2-CD2 4.12Å; F362-Y529 HydrophobicContact CD2-CG 4.11Å; F362-Y529 HydrophobicContact CE2-CD2 4.39Å; F362-Y529 HydrophobicContact CE2-CG 4.07Å; L363-Y529 PolarHBondContact N-O 2.99Å
530	I	90.2	Very high	86.2	Confident	61 Å²	61	58 Å²	58	31%	0.313	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	135.2	-178.9	-56.4	165.6	0	0	0	108	L363 V365 V521 L524	L363-I530 HydrophobicContact CB-CG1 4.46Å; L363-I530 HydrophobicContact CD2-CG1 4.48Å; L363-I530 HydrophobicContact CD2-CG2 4.49Å; L363-I530 WeakPolarHBondContact O-CA 3.49Å; V365-I530 HydrophobicContact CG2-CG2 4.19Å; V521-I530 HydrophobicContact CB-CD1 4.3Å; V521-I530 HydrophobicContact CG1-CD1 3.45Å; V521-I530 VanDerWaalsContact CG1-CD1 3.45Å; V521-I530 HydrophobicContact CG2-CD1 3.98Å; V521-I530 HydrophobicContact CG2-CG2 4.03Å; L524-I530 HydrophobicContact CD1-CD1 4.13Å; L524-I530 HydrophobicContact CD1-CG1 4.26Å
531	C	90.4	Very high	86.6	Confident	5 Å²	5	58 Å²	58	3%	0.034	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	119.5	-178.7	-84	0	0	0	0	109.4	S233 F362 L363 L364 V365	S233-C531 WeakPolarHBondContact CB-SG 3.16Å; F362-C531 HydrophobicContact CE1-CB 3.76Å; F362-C531 WeakPolarHBondContact CE1-SG 3.45Å; F362-C531 HydrophobicContact CZ-CB 4.45Å; F362-C531 WeakPolarHBondContact CZ-SG 3.4Å; L363-C531 PolarHBondContact O-N 2.88Å; L364-C531 WeakPolarHBondContact CA-O 3.09Å; L364-C531 HydrophobicContact CD2-CB 3.88Å; V365-C531 PolarHBondContact N-O 3.49Å
532	H	89.3	Confident	87	Confident	108 Å²	108	56.3 Å²	56.3	50%	0.5	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	125.7	179	-58	92.5	0	0	0	109	C231 V365	C231-H532 PolarHBondContact SG-O 2.83Å; V365-H532 CarbonylContact O-C 3.58Å; V365-H532 VanDerWaalsContact O-CA 3.28Å; V365-H532 WeakPolarHBondContact O-CA 3.35Å
533	F	90.2	Very high	87.5	Confident	5 Å²	5	48.6 Å²	48.6	2%	0.022	27%	0.267	C	S	.	.			trans	-97.4	133.3	175.3	-86.6	-117.5	0	0	0	108.1	F227 I234 L364 V365 G366 P367 K372 L375	F227-F533 HydrophobicContact CE1-CE1 4.25Å; F227-F533 HydrophobicContact CZ-CE1 4.18Å; I234-F533 HydrophobicContact CG1-CZ 4.25Å; L364-F533 HydrophobicContact CB-CD2 4.36Å; L364-F533 HydrophobicContact CB-CE2 4.23Å; L364-F533 HydrophobicContact CD1-CE2 4.48Å; L364-F533 HydrophobicContact CD2-CD2 4.38Å; L364-F533 HydrophobicContact CD2-CE2 3.56Å; L364-F533 HydrophobicContact CD2-CZ 4.21Å; L364-F533 HydrophobicContact CG-CE2 4.29Å; V365-F533 PolarHBondContact O-N 3.28Å; G366-F533 WeakPolarHBondContact CA-O 3.05Å; P367-F533 VanDerWaalsContact CD-O 3.23Å; P367-F533 WeakPolarHBondContact CD-O 3.39Å; K372-F533 HydrophobicContact CG-CB 4.28Å; K372-F533 HydrophobicContact CG-CD1 4.08Å; K372-F533 HydrophobicContact CG-CG 4.03Å; L375-F533 HydrophobicContact CD2-CE1 4.05Å; L375-F533 HydrophobicContact CD2-CZ 3.52Å
534	T	86.8	Confident	88	Confident	75 Å²	75	45.1 Å²	45.1	46%	0.46	25%	0.248	S	C	.	.			trans	-114.8	162.4	171.6	55.6	0	0	0	0	108.5	N229	N229-T534 PolarHBondContact ND2-O 2.86Å
535	S	85.9	Confident	88.5	Confident	23 Å²	23	43.7 Å²	43.7	16%	0.161	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-57.4	147.4	168.3	-76.5	0	0	0	0	110.8	H582 C583	S535-H582 PolarHBondContact OG-ND1 2.98Å; S535-C583 PolarHBondContact OG-N 3.27Å; S535-C583 VanDerWaalsContact OG-N 3.1Å; S535-C583 PolarHBondContact OG-O 3.33Å; S535-C583 VanDerWaalsContact OG-O 3.09Å
536	A	86.8	Confident	89.4	Confident	17 Å²	17	41.4 Å²	41.4	14%	0.14	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-65.3	148.5	171.4	0	0	0	0	0	109.7	L228 V541	L228-A536 WeakPolarHBondContact O-CB 3.48Å; A536-V541 HydrophobicContact CB-CG2 3.84Å
537	S	88.4	Confident	90.1	Very high	52 Å²	52	39.2 Å²	39.2	36%	0.364	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-63.9	149.1	177	61.2	0	0	0	0	110.9	E539 L540 V541	S537-E539 PolarHBondContact O-N 3.45Å; S537-L540 PolarHBondContact O-N 2.98Å; S537-V541 WeakPolarHBondContact O-CG2 3.25Å; S537-V541 PolarHBondContact O-N 3.11Å
538	L	88.9	Confident	90.7	Very high	58 Å²	58	34.4 Å²	34.4	30%	0.304	18%	0.181	S	C	.	.	H	α-helix	trans	-58.9	-29.8	176.3	-61.4	-175.1	0	0	0	112.2	L540 V541 V542 I565	L538-L540 PolarHBondContact O-N 3.44Å; L538-V541 PolarHBondContact O-N 3.04Å; L538-V542 HydrophobicContact CB-CG2 4.5Å; L538-V542 WeakPolarHBondContact O-CB 3.41Å; L538-V542 VanDerWaalsContact O-CG2 3.31Å; L538-V542 WeakPolarHBondContact O-CG2 3.48Å; L538-V542 PolarHBondContact O-N 2.99Å; L538-I565 HydrophobicContact CD2-CD1 4.33Å; L538-I565 HydrophobicContact CD2-CG2 3.7Å
539	E	89.3	Confident	90.9	Very high	159 Å²	159	33.4 Å²	33.4	74%	0.743	17%	0.173	S	C	*	.	H	α-helix	trans	-58.6	-26.1	172.5	-61.8	-176.3	169	0	0	113.7	S537 P543	S537-E539 PolarHBondContact O-N 3.45Å; E539-P543 VanDerWaalsContact O-CD 3.24Å; E539-P543 WeakPolarHBondContact O-CD 3.23Å; E539-P543 WeakPolarHBondContact O-CG 3.35Å
540	L	91.6	Very high	91	Very high	16 Å²	16	28.8 Å²	28.8	8%	0.084	16%	0.155	C	C	.	.	H	α-helix	trans	-95.6	-39.1	174.1	-62.7	176.3	0	0	0	111.6	F183 L228 T230 S537 L538 Y544	F183-L540 HydrophobicContact CD2-CD2 4.02Å; F183-L540 HydrophobicContact CE2-CD2 4.23Å; F183-L540 WeakPolarHBondContact CE2-O 3.47Å; L228-L540 HydrophobicContact CD1-CB 4.04Å; L228-L540 HydrophobicContact CG-CB 4.36Å; T230-L540 HydrophobicContact CG2-CD1 3.79Å; S537-L540 PolarHBondContact O-N 2.98Å; L538-L540 PolarHBondContact O-N 3.44Å; L540-Y544 WeakPolarHBondContact O-CB 3.45Å; L540-Y544 PolarHBondContact O-N 3.11Å
541	V	92.6	Very high	91	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.018	15%	0.147	C	C	.	.	H	α-helix	trans	-68.6	-46.8	-175.4	177	0	0	0	0	111.9	L228 A536 S537 L538 Y544 I545 I565 L585 L588	L228-V541 HydrophobicContact CD2-CG2 4.29Å; A536-V541 HydrophobicContact CB-CG2 3.84Å; S537-V541 WeakPolarHBondContact O-CG2 3.25Å; S537-V541 PolarHBondContact O-N 3.11Å; L538-V541 PolarHBondContact O-N 3.04Å; V541-Y544 WeakPolarHBondContact O-CB 3.23Å; V541-Y544 PolarHBondContact O-N 3.19Å; V541-I545 HydrophobicContact CG1-CG2 4.39Å; V541-I545 WeakPolarHBondContact O-CG1 3.39Å; V541-I545 PolarHBondContact O-N 2.8Å; V541-I565 HydrophobicContact CG1-CD1 3.91Å; V541-I565 HydrophobicContact CG1-CG1 4.5Å; V541-L585 HydrophobicContact CG1-CD1 4.37Å; V541-L588 HydrophobicContact CG1-CD2 3.49Å; V541-L588 VanDerWaalsContact CG1-CD2 3.49Å
542	V	94.3	Very high	90.9	Very high	6 Å²	6	29.1 Å²	29.1	4%	0.036	16%	0.155	C	C	.	.	H	α-helix	trans	-59.5	-56.1	-177.2	174.8	0	0	0	0	112.2	L538 Y544 I545 R546 A561 I565	L538-V542 HydrophobicContact CB-CG2 4.5Å; L538-V542 WeakPolarHBondContact O-CB 3.41Å; L538-V542 VanDerWaalsContact O-CG2 3.31Å; L538-V542 WeakPolarHBondContact O-CG2 3.48Å; L538-V542 PolarHBondContact O-N 2.99Å; V542-Y544 VanDerWaalsContact C-N 3.27Å; V542-Y544 PolarHBondContact O-N 2.92Å; V542-I545 VanDerWaalsContact O-CG1 3.28Å; V542-I545 WeakPolarHBondContact O-CG1 3.46Å; V542-I545 PolarHBondContact O-N 2.85Å; V542-R546 VanDerWaalsContact O-CG 3.27Å; V542-R546 WeakPolarHBondContact O-CG 3.49Å; V542-R546 PolarHBondContact O-N 3.25Å; V542-R546 VanDerWaalsContact O-N 3.17Å; V542-A561 HydrophobicContact CG1-CB 4.13Å; V542-I565 HydrophobicContact CG2-CD1 3.68Å
543	P	94.4	Very high	90.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.8	-37.4	176.6	19.4	-30.1	0	0	0	112.3	H180 F183 I185 E539 R546 V547	H180-P543 HydrophobicContact CB-CB 3.89Å; H180-P543 HydrophobicContact CB-CG 4.29Å; F183-P543 HydrophobicContact CB-CB 4Å; F183-P543 HydrophobicContact CB-CG 3.95Å; F183-P543 HydrophobicContact CD1-CB 3.97Å; F183-P543 HydrophobicContact CD1-CG 4.36Å; F183-P543 HydrophobicContact CD2-CB 3.96Å; F183-P543 HydrophobicContact CD2-CG 3.43Å; F183-P543 VanDerWaalsContact CD2-CG 3.43Å; F183-P543 HydrophobicContact CE1-CB 4.38Å; F183-P543 HydrophobicContact CE2-CB 4.39Å; F183-P543 HydrophobicContact CE2-CG 3.94Å; F183-P543 HydrophobicContact CG-CB 3.7Å; F183-P543 HydrophobicContact CG-CG 3.66Å; I185-P543 HydrophobicContact CD1-CB 3.75Å; E539-P543 VanDerWaalsContact O-CD 3.24Å; E539-P543 WeakPolarHBondContact O-CD 3.23Å; E539-P543 WeakPolarHBondContact O-CG 3.35Å; P543-R546 PolarHBondContact O-N 3.26Å; P543-V547 VanDerWaalsContact O-CG2 3.3Å; P543-V547 WeakPolarHBondContact O-CG2 3.45Å; P543-V547 PolarHBondContact O-N 3.02Å
544	Y	94.7	Very high	90.5	Very high	9 Å²	9	26.1 Å²	26.1	4%	0.035	15%	0.148	C	C	.	.	H	α-helix	trans	-59.6	-50.3	178.9	177.1	-93.8	0	0	0	112.5	F183 F192 Y219 L228 L540 V541 V542 R546 V547 L548 L585 I589	F183-Y544 HydrophobicContact CZ-CD2 4.46Å; F192-Y544 HydrophobicContact CE1-CE2 4.36Å; F192-Y544 HydrophobicContact CZ-CD2 4.26Å; F192-Y544 AromaticContact CZ-CE2 3.66Å; F192-Y544 HydrophobicContact CZ-CE2 3.66Å; Y219-Y544 PolarHBondContact O-OH 3.1Å; L228-Y544 HydrophobicContact CD1-CD2 3.84Å; L228-Y544 HydrophobicContact CD1-CG 3.99Å; L228-Y544 HydrophobicContact CD2-CD1 3.75Å; L228-Y544 HydrophobicContact CD2-CD2 4.05Å; L228-Y544 HydrophobicContact CD2-CE1 4.37Å; L228-Y544 HydrophobicContact CD2-CG 3.57Å; L228-Y544 HydrophobicContact CG-CD2 4.39Å; L228-Y544 HydrophobicContact CG-CG 4.35Å; L540-Y544 WeakPolarHBondContact O-CB 3.45Å; L540-Y544 PolarHBondContact O-N 3.11Å; V541-Y544 WeakPolarHBondContact O-CB 3.23Å; V541-Y544 PolarHBondContact O-N 3.19Å; V542-Y544 VanDerWaalsContact C-N 3.27Å; V542-Y544 PolarHBondContact O-N 2.92Å; Y544-R546 VanDerWaalsContact C-N 3.31Å; Y544-R546 PolarHBondContact O-N 3.09Å; Y544-V547 PolarHBondContact O-N 3.46Å; Y544-L548 HydrophobicContact CE1-CD1 3.85Å; Y544-L548 WeakPolarHBondContact O-CB 3.28Å; Y544-L548 PolarHBondContact O-N 3.41Å; Y544-L585 HydrophobicContact CD1-CD1 4.25Å; Y544-L585 HydrophobicContact CE1-CD1 4.25Å; Y544-L585 HydrophobicContact CE1-CD2 4.37Å; Y544-I589 HydrophobicContact CE1-CD1 4.28Å
545	I	93.8	Very high	90.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-68.4	-30.8	-179.7	63	171	0	0	0	112.5	V541 V542 L548 C549 L556 A561 I565 L585 L588 L592	V541-I545 HydrophobicContact CG1-CG2 4.39Å; V541-I545 WeakPolarHBondContact O-CG1 3.39Å; V541-I545 PolarHBondContact O-N 2.8Å; V542-I545 VanDerWaalsContact O-CG1 3.28Å; V542-I545 WeakPolarHBondContact O-CG1 3.46Å; V542-I545 PolarHBondContact O-N 2.85Å; I545-L548 PolarHBondContact O-N 2.97Å; I545-C549 WeakPolarHBondContact O-CB 3.26Å; I545-C549 PolarHBondContact O-N 2.57Å; I545-L556 HydrophobicContact CD1-CD2 3.95Å; I545-L556 HydrophobicContact CG1-CD2 3.97Å; I545-A561 HydrophobicContact CD1-CB 3.91Å; I545-A561 HydrophobicContact CG1-CB 4.44Å; I545-I565 HydrophobicContact CD1-CD1 4.04Å; I545-I565 HydrophobicContact CD1-CG1 4.29Å; I545-L585 HydrophobicContact CG2-CD1 4.5Å; I545-L588 HydrophobicContact CD1-CD1 4.38Å; I545-L588 HydrophobicContact CD1-CD2 4.27Å; I545-L588 HydrophobicContact CG2-CD2 3.69Å; I545-L588 HydrophobicContact CG2-CG 4.08Å; I545-L592 HydrophobicContact CB-CD2 4.02Å; I545-L592 HydrophobicContact CG2-CD2 4.49Å
546	R	94.1	Very high	90.5	Very high	1 Å²	1	23.5 Å²	23.5	0%	0.004	13%	0.129	C	C	.	.	H	α-helix	trans	-66.9	-44.4	175.2	-68.5	178	71.5	-159.9	3.2	111.6	I176 D179 H180 V542 P543 Y544 L548 C549 L550 L556 V558 A561	I176-R546 HydrophobicContact CD1-CB 4.18Å; I176-R546 HydrophobicContact CG2-CB 4.37Å; D179-R546 VanDerWaalsContact CB-NH1 3.32Å; D179-R546 IonicContact OD2-CZ 3.94Å; D179-R546 VanDerWaalsContact OD2-CZ 3.23Å; D179-R546 IonicContact OD2-NH1 3.37Å; D179-R546 PolarHBondContact OD2-NH1 3.38Å; D179-R546 IonicContact OD2-NH2 2.72Å; D179-R546 PolarHBondContact OD2-NH2 3.04Å; H180-R546 PolarHBondContact CD2-NH1 3.37Å; H180-R546 PolarHBondContact NE2-NH1 3.08Å; V542-R546 VanDerWaalsContact O-CG 3.27Å; V542-R546 WeakPolarHBondContact O-CG 3.49Å; V542-R546 PolarHBondContact O-N 3.25Å; V542-R546 VanDerWaalsContact O-N 3.17Å; P543-R546 PolarHBondContact O-N 3.26Å; Y544-R546 VanDerWaalsContact C-N 3.31Å; Y544-R546 PolarHBondContact O-N 3.09Å; R546-L548 VanDerWaalsContact C-N 3.34Å; R546-C549 PolarHBondContact O-N 3.2Å; R546-L550 WeakPolarHBondContact O-CB 3.37Å; R546-L550 PolarHBondContact O-N 3.2Å; R546-L556 HydrophobicContact CG-CB 4.29Å; R546-L556 HydrophobicContact CG-CD2 4.06Å; R546-L556 HydrophobicContact CG-CG 4.24Å; R546-L556 WeakPolarHBondContact CG-O 3.39Å; R546-L556 PolarHBondContact NE-O 3.17Å; R546-V558 VanDerWaalsContact CZ-CG2 3.48Å; R546-A561 HydrophobicContact CG-CB 4.3Å
547	V	93.5	Very high	90.5	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.006	13%	0.134	C	C	.	.	H	α-helix	trans	-66	-38.6	175.2	176.6	0	0	0	0	111.4	I176 I185 C188 F189 F192 P543 Y544 L550 N551	I176-V547 HydrophobicContact CG2-CG2 4.24Å; I185-V547 HydrophobicContact CB-CG2 4.46Å; I185-V547 HydrophobicContact CD1-CG2 3.51Å; I185-V547 HydrophobicContact CG2-CG2 3.79Å; C188-V547 HydrophobicContact CB-CG1 4.38Å; F189-V547 HydrophobicContact CB-CG1 3.79Å; F189-V547 HydrophobicContact CD2-CG1 3.9Å; F189-V547 HydrophobicContact CG-CG1 4.36Å; F192-V547 HydrophobicContact CD2-CG1 4Å; F192-V547 HydrophobicContact CE2-CB 4.49Å; F192-V547 HydrophobicContact CE2-CG1 3.91Å; P543-V547 VanDerWaalsContact O-CG2 3.3Å; P543-V547 WeakPolarHBondContact O-CG2 3.45Å; P543-V547 PolarHBondContact O-N 3.02Å; Y544-V547 PolarHBondContact O-N 3.46Å; V547-L550 PolarHBondContact O-N 2.77Å; V547-N551 WeakPolarHBondContact O-CB 3.26Å; V547-N551 PolarHBondContact O-N 2.89Å
548	L	93.3	Very high	90.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.7	-51.5	174.9	-170.7	163.8	0	0	0	110.8	F192 W215 Y219 Y544 I545 R546 L550 N551 E552 I589 L592	F192-L548 HydrophobicContact CE2-CB 4.17Å; W215-L548 HydrophobicContact CD2-CD2 4.24Å; W215-L548 HydrophobicContact CE3-CD2 3.43Å; W215-L548 VanDerWaalsContact CE3-CD2 3.43Å; W215-L548 HydrophobicContact CZ3-CD2 3.66Å; Y219-L548 HydrophobicContact CD1-CD1 4.09Å; Y219-L548 HydrophobicContact CD1-CG 3.92Å; Y219-L548 HydrophobicContact CD2-CD1 3.58Å; Y219-L548 HydrophobicContact CD2-CD2 3.8Å; Y219-L548 HydrophobicContact CD2-CG 3.59Å; Y219-L548 HydrophobicContact CE1-CG 3.88Å; Y219-L548 HydrophobicContact CE2-CD1 4.1Å; Y219-L548 HydrophobicContact CE2-CD2 3.48Å; Y219-L548 VanDerWaalsContact CE2-CD2 3.48Å; Y219-L548 HydrophobicContact CE2-CG 3.55Å; Y219-L548 HydrophobicContact CG-CD1 3.59Å; Y219-L548 HydrophobicContact CG-CD2 4.5Å; Y219-L548 HydrophobicContact CG-CG 3.79Å; Y544-L548 HydrophobicContact CE1-CD1 3.85Å; Y544-L548 WeakPolarHBondContact O-CB 3.28Å; Y544-L548 PolarHBondContact O-N 3.41Å; I545-L548 PolarHBondContact O-N 2.97Å; R546-L548 VanDerWaalsContact C-N 3.34Å; L548-L550 VanDerWaalsContact C-N 3.32Å; L548-L550 PolarHBondContact O-N 3.17Å; L548-N551 WeakPolarHBondContact O-CB 3.25Å; L548-N551 PolarHBondContact O-N 2.96Å; L548-N551 VanDerWaalsContact O-N 3.16Å; L548-E552 HydrophobicContact CD2-CG 4.45Å; L548-E552 PolarHBondContact O-N 2.95Å; L548-I589 HydrophobicContact CD1-CD1 4.21Å; L548-I589 HydrophobicContact CD1-CG1 4.02Å; L548-I589 HydrophobicContact CD1-CG2 4.45Å; L548-L592 HydrophobicContact CD2-CD2 4.18Å
549	C	91	Very high	90.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-56.1	-44.8	174.6	-94.7	0	0	0	0	112.7	I545 R546 N551 E552 G553 Y554 L556 L592	I545-C549 WeakPolarHBondContact O-CB 3.26Å; I545-C549 PolarHBondContact O-N 2.57Å; R546-C549 PolarHBondContact O-N 3.2Å; C549-N551 VanDerWaalsContact C-N 3.27Å; C549-N551 PolarHBondContact O-N 3.38Å; C549-E552 CarbonylContact O-C 3.59Å; C549-E552 WeakPolarHBondContact O-CA 3.46Å; C549-E552 PolarHBondContact O-N 2.94Å; C549-G553 PolarHBondContact O-N 3.01Å; C549-G553 VanDerWaalsContact O-N 3.13Å; C549-Y554 CarbonylContact C-O 3.5Å; C549-Y554 PolarHBondContact O-N 3.33Å; C549-L556 HydrophobicContact CB-CB 3.93Å; C549-L592 WeakPolarHBondContact SG-CD1 3.48Å; C549-L592 WeakPolarHBondContact SG-CD2 3.22Å; C549-L592 WeakPolarHBondContact SG-CG 3.41Å
550	L	90.7	Very high	90.3	Very high	6 Å²	6	22.6 Å²	22.6	3%	0.031	12%	0.121	C	C	.	.	H	α-helix	trans	-63.1	-37	179.8	-175.4	61.7	0	0	0	111.6	T166 C172 L173 I176 F189 R546 V547 L548 E552 G553 Y554	T166-L550 HydrophobicContact CG2-CD1 4.02Å; C172-L550 HydrophobicContact CB-CD1 3.67Å; C172-L550 HydrophobicContact CB-CD2 4.07Å; L173-L550 HydrophobicContact CB-CD2 3.83Å; L173-L550 HydrophobicContact CD1-CD2 4.15Å; L173-L550 HydrophobicContact CG-CD2 4.31Å; I176-L550 HydrophobicContact CD1-CB 4.41Å; I176-L550 HydrophobicContact CD1-CD2 3.82Å; F189-L550 HydrophobicContact CE2-CB 4.39Å; F189-L550 HydrophobicContact CE2-CD2 4.28Å; F189-L550 HydrophobicContact CE2-CG 4.05Å; R546-L550 WeakPolarHBondContact O-CB 3.37Å; R546-L550 PolarHBondContact O-N 3.2Å; V547-L550 PolarHBondContact O-N 2.77Å; L548-L550 VanDerWaalsContact C-N 3.32Å; L548-L550 PolarHBondContact O-N 3.17Å; L550-E552 PolarHBondContact O-N 3.25Å; L550-G553 PolarHBondContact O-N 3.43Å; L550-Y554 VanDerWaalsContact CA-O 3.29Å; L550-Y554 WeakPolarHBondContact CA-O 3.42Å; L550-Y554 PolarHBondContact N-O 3.31Å
551	N	90.2	Very high	90.1	Very high	29 Å²	29	21.9 Å²	21.9	16%	0.155	12%	0.117	C	C	.	.	H	α-helix	trans	-67.4	-21.3	175.4	-172.1	75.2	0	0	0	112.9	F189 F192 Y219 V547 L548 C549	F189-N551 HydrophobicContact CD2-CB 4.15Å; F189-N551 HydrophobicContact CE2-CB 3.88Å; F192-N551 HydrophobicContact CB-CB 4.23Å; F192-N551 HydrophobicContact CD2-CB 4.17Å; Y219-N551 PolarHBondContact OH-ND2 3.39Å; V547-N551 WeakPolarHBondContact O-CB 3.26Å; V547-N551 PolarHBondContact O-N 2.89Å; L548-N551 WeakPolarHBondContact O-CB 3.25Å; L548-N551 PolarHBondContact O-N 2.96Å; L548-N551 VanDerWaalsContact O-N 3.16Å; C549-N551 VanDerWaalsContact C-N 3.27Å; C549-N551 PolarHBondContact O-N 3.38Å
552	E	88.1	Confident	90	Very high	43 Å²	43	24 Å²	24	20%	0.201	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	0.4	172.2	-59.6	-71.5	171	0	0	112.7	W215 K218 Y219 L548 C549 L550 Y554	W215-E552 HydrophobicContact CD2-CG 4.09Å; W215-E552 HydrophobicContact CE3-CG 4.32Å; W215-E552 HydrophobicContact CH2-CB 3.58Å; W215-E552 HydrophobicContact CH2-CG 3.53Å; W215-E552 HydrophobicContact CZ2-CB 3.45Å; W215-E552 VanDerWaalsContact CZ2-CB 3.45Å; W215-E552 HydrophobicContact CZ2-CG 3.27Å; W215-E552 HydrophobicContact CZ3-CB 4.46Å; W215-E552 HydrophobicContact CZ3-CG 4.05Å; K218-E552 WeakPolarHBondContact CD-OE1 3.47Å; K218-E552 WeakPolarHBondContact CE-OE1 3.44Å; K218-E552 IonicContact NZ-OE1 3.39Å; K218-E552 PolarHBondContact NZ-OE1 3.19Å; K218-E552 IonicContact NZ-OE2 2.73Å; K218-E552 PolarHBondContact NZ-OE2 3.3Å; Y219-E552 HydrophobicContact CE2-CG 4.23Å; Y219-E552 WeakPolarHBondContact CE2-OE1 3.34Å; Y219-E552 VanDerWaalsContact OH-CG 3.31Å; Y219-E552 WeakPolarHBondContact OH-CG 3.31Å; Y219-E552 PolarHBondContact OH-OE1 2.76Å; L548-E552 HydrophobicContact CD2-CG 4.45Å; L548-E552 PolarHBondContact O-N 2.95Å; C549-E552 CarbonylContact O-C 3.59Å; C549-E552 WeakPolarHBondContact O-CA 3.46Å; C549-E552 PolarHBondContact O-N 2.94Å; L550-E552 PolarHBondContact O-N 3.25Å; E552-Y554 HydrophobicContact CB-CD2 4.18Å; E552-Y554 WeakPolarHBondContact O-CD2 3.24Å; E552-Y554 WeakPolarHBondContact O-CE2 3.39Å
553	G	85.5	Confident	89.4	Confident	26 Å²	26	26.7 Å²	26.7	27%	0.268	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.7	16.9	175.9	0	0	0	0	0	115.5	K165 T166 C549 L550	K165-G553 WeakPolarHBondContact CA-O 3.48Å; T166-G553 PolarHBondContact N-O 3.08Å; T166-G553 PolarHBondContact OG1-O 3.01Å; C549-G553 PolarHBondContact O-N 3.01Å; C549-G553 VanDerWaalsContact O-N 3.13Å; L550-G553 PolarHBondContact O-N 3.43Å
554	Y	86.4	Confident	88.7	Confident	24 Å²	24	27.1 Å²	27.1	9%	0.094	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	136.5	-179.2	-62.5	-91.8	0	0	0	111.5	L163 K165 C549 L550 E552 C596	L163-Y554 HydrophobicContact CB-CD1 4.23Å; L163-Y554 HydrophobicContact CD1-CD1 4.48Å; K165-Y554 HydrophobicContact CG-CD1 4.36Å; K165-Y554 HydrophobicContact CG-CE1 3.96Å; C549-Y554 CarbonylContact C-O 3.5Å; C549-Y554 PolarHBondContact O-N 3.33Å; L550-Y554 VanDerWaalsContact CA-O 3.29Å; L550-Y554 WeakPolarHBondContact CA-O 3.42Å; L550-Y554 PolarHBondContact N-O 3.31Å; E552-Y554 HydrophobicContact CB-CD2 4.18Å; E552-Y554 WeakPolarHBondContact O-CD2 3.24Å; E552-Y554 WeakPolarHBondContact O-CE2 3.39Å; Y554-C596 HydrophobicContact CD1-CB 4.25Å; Y554-C596 HydrophobicContact CD2-CB 3.79Å; Y554-C596 HydrophobicContact CE1-CB 4.15Å; Y554-C596 WeakPolarHBondContact CE1-O 3.23Å; Y554-C596 HydrophobicContact CE2-CB 3.74Å; Y554-C596 HydrophobicContact CG-CB 4.06Å; Y554-C596 PolarHBondContact OH-O 3.19Å
555	N	84.9	Confident	88.3	Confident	40 Å²	40	26.7 Å²	26.7	21%	0.214	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	110.1	174.6	-172.5	20.7	0	0	0	110.6	L163 S164 T166	L163-N555 WeakPolarHBondContact CD2-O 3.27Å; S164-N555 PolarHBondContact O-N 2.98Å; T166-N555 HydrophobicContact CG2-CB 3.47Å; T166-N555 VanDerWaalsContact CG2-CB 3.47Å
556	L	88.6	Confident	87.7	Confident	3 Å²	3	33.6 Å²	33.6	2%	0.016	18%	0.178	C	C	.	.			trans	-98.3	116.9	173.9	-176.3	70.5	0	0	0	109.8	L163 I545 R546 C549 T560 A561 L592	L163-L556 HydrophobicContact CD2-CB 4.21Å; L163-L556 HydrophobicContact CD2-CD1 3.91Å; I545-L556 HydrophobicContact CD1-CD2 3.95Å; I545-L556 HydrophobicContact CG1-CD2 3.97Å; R546-L556 HydrophobicContact CG-CB 4.29Å; R546-L556 HydrophobicContact CG-CD2 4.06Å; R546-L556 HydrophobicContact CG-CG 4.24Å; R546-L556 WeakPolarHBondContact CG-O 3.39Å; R546-L556 PolarHBondContact NE-O 3.17Å; C549-L556 HydrophobicContact CB-CB 3.93Å; L556-T560 HydrophobicContact CD1-CG2 3.48Å; L556-T560 VanDerWaalsContact CD1-CG2 3.48Å; L556-A561 HydrophobicContact CD2-CB 3.81Å; L556-A561 HydrophobicContact CG-CB 4.04Å; L556-L592 HydrophobicContact CD2-CD1 4.06Å
557	D	86.9	Confident	86.6	Confident	46 Å²	46	35.5 Å²	35.5	25%	0.246	19%	0.191	C	C	.	.			trans	-77.7	163.5	173.7	72.5	96.6	0	0	0	111.8	Q559 T560 A561	D557-Q559 VanDerWaalsContact C-N 3.32Å; D557-Q559 PolarHBondContact O-N 3.03Å; D557-Q559 WeakPolarHBondContact OD1-CA 3.26Å; D557-Q559 WeakPolarHBondContact OD1-CB 3.42Å; D557-Q559 PolarHBondContact OD1-N 3.33Å; D557-T560 PolarHBondContact OD1-N 3.45Å; D557-T560 PolarHBondContact OD1-OG1 3Å; D557-T560 WeakPolarHBondContact OD2-CB 3.44Å; D557-T560 PolarHBondContact OD2-OG1 2.91Å; D557-A561 WeakPolarHBondContact O-CB 3.28Å; D557-A561 PolarHBondContact O-N 3.14Å
558	V	90.7	Very high	85.6	Confident	45 Å²	45	36.1 Å²	36.1	27%	0.273	19%	0.194	S	C	.	.	H	α-helix	trans	-63.9	-36.3	-176.4	179.3	0	0	0	0	112.1	D179 R546 N562	D179-V558 HydrophobicContact CB-CG2 4.31Å; R546-V558 VanDerWaalsContact CZ-CG2 3.48Å; V558-N562 WeakPolarHBondContact CG1-ND2 3.47Å; V558-N562 PolarHBondContact O-N 3.44Å; V558-N562 VanDerWaalsContact O-N 3.1Å; V558-N562 PolarHBondContact O-ND2 2.84Å
559	Q	86.6	Confident	84.6	Confident	157 Å²	157	37.6 Å²	37.6	73%	0.734	20%	0.201	S	C	*	.	H	α-helix	trans	-71	-47.8	-176.1	-61.6	178	-7.3	0	0	109.7	D557 A561 N562 S563	D557-Q559 VanDerWaalsContact C-N 3.32Å; D557-Q559 PolarHBondContact O-N 3.03Å; D557-Q559 WeakPolarHBondContact OD1-CA 3.26Å; D557-Q559 WeakPolarHBondContact OD1-CB 3.42Å; D557-Q559 PolarHBondContact OD1-N 3.33Å; Q559-A561 PolarHBondContact O-N 2.9Å; Q559-N562 PolarHBondContact O-N 3.15Å; Q559-S563 PolarHBondContact O-N 3.3Å; Q559-S563 PolarHBondContact O-OG 3.13Å
560	T	84.6	Confident	82.9	Confident	20 Å²	20	40 Å²	40	12%	0.123	22%	0.218	C	C	.	.	H	α-helix	trans	-58.9	-45	174.8	-59.9	0	0	0	0	112.4	I161 L556 D557 N562 S563 L564	I161-T560 HydrophobicContact CB-CG2 4.41Å; I161-T560 HydrophobicContact CD1-CG2 4.28Å; I161-T560 HydrophobicContact CG1-CG2 4.41Å; I161-T560 HydrophobicContact CG2-CG2 3.19Å; L556-T560 HydrophobicContact CD1-CG2 3.48Å; L556-T560 VanDerWaalsContact CD1-CG2 3.48Å; D557-T560 PolarHBondContact OD1-N 3.45Å; D557-T560 PolarHBondContact OD1-OG1 3Å; D557-T560 WeakPolarHBondContact OD2-CB 3.44Å; D557-T560 PolarHBondContact OD2-OG1 2.91Å; T560-N562 VanDerWaalsContact C-N 3.3Å; T560-N562 PolarHBondContact O-N 3.34Å; T560-S563 PolarHBondContact O-N 2.7Å; T560-L564 PolarHBondContact O-N 3.44Å
561	A	88.2	Confident	80.7	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-55.4	-45.9	176.4	0	0	0	0	0	112	V542 I545 R546 L556 D557 Q559 I565	V542-A561 HydrophobicContact CG1-CB 4.13Å; I545-A561 HydrophobicContact CD1-CB 3.91Å; I545-A561 HydrophobicContact CG1-CB 4.44Å; R546-A561 HydrophobicContact CG-CB 4.3Å; L556-A561 HydrophobicContact CD2-CB 3.81Å; L556-A561 HydrophobicContact CG-CB 4.04Å; D557-A561 WeakPolarHBondContact O-CB 3.28Å; D557-A561 PolarHBondContact O-N 3.14Å; Q559-A561 PolarHBondContact O-N 2.9Å; A561-I565 WeakPolarHBondContact O-CD1 3.44Å; A561-I565 VanDerWaalsContact O-CG1 3.28Å; A561-I565 WeakPolarHBondContact O-CG1 3.22Å; A561-I565 PolarHBondContact O-N 2.96Å; A561-I565 VanDerWaalsContact O-N 3.13Å
562	N	89.4	Confident	78.2	Confident	48 Å²	48	50.4 Å²	50.4	26%	0.257	28%	0.28	S	S	.	.	H	α-helix	trans	-68.6	-39.8	178	-77.2	-59	0	0	0	112.5	V558 Q559 T560 L564 I565 K566	V558-N562 WeakPolarHBondContact CG1-ND2 3.47Å; V558-N562 PolarHBondContact O-N 3.44Å; V558-N562 VanDerWaalsContact O-N 3.1Å; V558-N562 PolarHBondContact O-ND2 2.84Å; Q559-N562 PolarHBondContact O-N 3.15Å; T560-N562 VanDerWaalsContact C-N 3.3Å; T560-N562 PolarHBondContact O-N 3.34Å; N562-L564 VanDerWaalsContact C-N 3.34Å; N562-L564 PolarHBondContact O-N 2.93Å; N562-I565 PolarHBondContact O-N 2.96Å; N562-K566 WeakPolarHBondContact O-CB 3.44Å; N562-K566 VanDerWaalsContact O-CG 3.29Å; N562-K566 WeakPolarHBondContact O-CG 3.47Å; N562-K566 PolarHBondContact O-N 3.15Å
563	S	81.8	Confident	75.8	Confident	63 Å²	63	55.7 Å²	55.7	44%	0.441	31%	0.309	S	S	.	.	H	α-helix	trans	-61	-43.2	176.3	-64.4	0	0	0	0	111.8	Q559 T560 K566 S567	Q559-S563 PolarHBondContact O-N 3.3Å; Q559-S563 PolarHBondContact O-OG 3.13Å; T560-S563 PolarHBondContact O-N 2.7Å; S563-K566 PolarHBondContact O-N 3.35Å; S563-S567 PolarHBondContact O-N 3.02Å
564	L	80.6	Confident	73.1	Confident	8 Å²	8	60.1 Å²	60.1	4%	0.042	33%	0.331	C	S	.	.	H	α-helix	trans	-64.1	-41	176.5	-175	64.9	0	0	0	112.2	T560 N562 S567 I568 L588 E591 L592	T560-L564 PolarHBondContact O-N 3.44Å; N562-L564 VanDerWaalsContact C-N 3.34Å; N562-L564 PolarHBondContact O-N 2.93Å; L564-S567 PolarHBondContact O-N 3.41Å; L564-S567 PolarHBondContact O-OG 3.39Å; L564-I568 HydrophobicContact CG-CD1 4.36Å; L564-I568 WeakPolarHBondContact O-CD1 3.43Å; L564-I568 WeakPolarHBondContact O-CG1 3.43Å; L564-I568 PolarHBondContact O-N 2.84Å; L564-L588 HydrophobicContact CD2-CD1 3.8Å; L564-L588 HydrophobicContact CG-CD1 3.87Å; L564-E591 HydrophobicContact CD1-CB 4.32Å; L564-L592 HydrophobicContact CD2-CB 4.28Å; L564-L592 HydrophobicContact CD2-CD1 3.59Å
565	I	85.8	Confident	70.8	Confident	1 Å²	1	66.5 Å²	66.5	1%	0.005	37%	0.365	C	S	.	.	H	α-helix	trans	-63.9	-44.5	176	-68.9	165.3	0	0	0	110.5	L538 V541 V542 I545 A561 N562 S567 I568 Q569 L588	L538-I565 HydrophobicContact CD2-CD1 4.33Å; L538-I565 HydrophobicContact CD2-CG2 3.7Å; V541-I565 HydrophobicContact CG1-CD1 3.91Å; V541-I565 HydrophobicContact CG1-CG1 4.5Å; V542-I565 HydrophobicContact CG2-CD1 3.68Å; I545-I565 HydrophobicContact CD1-CD1 4.04Å; I545-I565 HydrophobicContact CD1-CG1 4.29Å; A561-I565 WeakPolarHBondContact O-CD1 3.44Å; A561-I565 VanDerWaalsContact O-CG1 3.28Å; A561-I565 WeakPolarHBondContact O-CG1 3.22Å; A561-I565 PolarHBondContact O-N 2.96Å; A561-I565 VanDerWaalsContact O-N 3.13Å; N562-I565 PolarHBondContact O-N 2.96Å; I565-S567 VanDerWaalsContact C-N 3.33Å; I565-S567 PolarHBondContact O-N 2.81Å; I565-I568 PolarHBondContact O-N 3Å; I565-I568 VanDerWaalsContact O-N 3.16Å; I565-Q569 HydrophobicContact CG2-CG 4.16Å; I565-Q569 WeakPolarHBondContact O-CB 3.49Å; I565-Q569 WeakPolarHBondContact O-CG 3.44Å; I565-Q569 PolarHBondContact O-N 3.38Å; I565-L588 HydrophobicContact CD1-CD2 4.48Å; I565-L588 HydrophobicContact CG1-CD1 3.98Å; I565-L588 HydrophobicContact CG1-CD2 3.92Å
566	K	81.3	Confident	68.4	Low	145 Å²	145	70.5 Å²	70.5	63%	0.63	39%	0.387	S	S	*	.	H	α-helix	trans	-61	-39	177	-74.1	173.7	-178.5	-178.9	0	112.5	N562 S563 I568 Q569	N562-K566 WeakPolarHBondContact O-CB 3.44Å; N562-K566 VanDerWaalsContact O-CG 3.29Å; N562-K566 WeakPolarHBondContact O-CG 3.47Å; N562-K566 PolarHBondContact O-N 3.15Å; S563-K566 PolarHBondContact O-N 3.35Å; K566-I568 VanDerWaalsContact C-N 3.25Å; K566-I568 PolarHBondContact O-N 3.46Å; K566-Q569 PolarHBondContact O-N 2.87Å
567	S	70.1	Confident	65.9	Low	40 Å²	40	80.9 Å²	80.9	28%	0.28	43%	0.432	S	S	.	.	H	α-helix	trans	-63.4	-34.2	177.2	67	0	0	0	0	112.2	S563 L564 I565 S570 N876	S563-S567 PolarHBondContact O-N 3.02Å; L564-S567 PolarHBondContact O-N 3.41Å; L564-S567 PolarHBondContact O-OG 3.39Å; I565-S567 VanDerWaalsContact C-N 3.33Å; I565-S567 PolarHBondContact O-N 2.81Å; S567-S570 PolarHBondContact O-OG 2.91Å; S567-N876 PolarHBondContact OG-ND2 3.21Å
568	I	72.1	Confident	63.5	Low	14 Å²	14	86.7 Å²	86.7	7%	0.072	46%	0.462	C	S	.	.	H	α-helix	trans	-79.2	-31.7	179.4	-67.6	161.2	0	0	0	112.1	L564 I565 K566 S570 R587 L588 E591	L564-I568 HydrophobicContact CG-CD1 4.36Å; L564-I568 WeakPolarHBondContact O-CD1 3.43Å; L564-I568 WeakPolarHBondContact O-CG1 3.43Å; L564-I568 PolarHBondContact O-N 2.84Å; I565-I568 PolarHBondContact O-N 3Å; I565-I568 VanDerWaalsContact O-N 3.16Å; K566-I568 VanDerWaalsContact C-N 3.25Å; K566-I568 PolarHBondContact O-N 3.46Å; I568-S570 PolarHBondContact O-N 2.9Å; I568-S570 VanDerWaalsContact O-N 3.16Å; I568-R587 HydrophobicContact CG2-CG 4.2Å; I568-L588 HydrophobicContact CD1-CB 3.87Å; I568-L588 HydrophobicContact CD1-CD1 3.43Å; I568-L588 VanDerWaalsContact CD1-CD1 3.43Å; I568-L588 HydrophobicContact CD1-CG 4.25Å; I568-E591 HydrophobicContact CD1-CB 4.26Å; I568-E591 HydrophobicContact CD1-CG 4.09Å; I568-E591 HydrophobicContact CG1-CG 4.33Å
569	Q	72.9	Confident	61.3	Low	32 Å²	32	88.8 Å²	88.8	15%	0.15	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	12.7	-178.9	-75.7	176.1	-33.5	0	0	114.3	I565 K566 E581 C583	I565-Q569 HydrophobicContact CG2-CG 4.16Å; I565-Q569 WeakPolarHBondContact O-CB 3.49Å; I565-Q569 WeakPolarHBondContact O-CG 3.44Å; I565-Q569 PolarHBondContact O-N 3.38Å; K566-Q569 PolarHBondContact O-N 2.87Å; Q569-E581 HydrophobicContact CG-CB 4.47Å; Q569-E581 PolarHBondContact NE2-O 3.29Å; Q569-C583 HydrophobicContact CG-CB 4.38Å
570	S	54.7	Low	59.6	Low	50 Å²	50	85.5 Å²	85.5	35%	0.35	47%	0.473	S	S	.	.			trans	-16.2	126.8	-170.9	-39.3	0	0	0	0	116.1	S567 I568 N572	S567-S570 PolarHBondContact O-OG 2.91Å; I568-S570 PolarHBondContact O-N 2.9Å; I568-S570 VanDerWaalsContact O-N 3.16Å; S570-N572 VanDerWaalsContact C-N 3.27Å; S570-N572 PolarHBondContact O-N 3.28Å
571	P	45.1	Very low	58.7	Low	119 Å²	119	91 Å²	91	77%	0.773	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	0.3	-164.4	-18.2	30.6	0	0	0	118.4
572	N	37.1	Very low	58.2	Low	135 Å²	135	93.6 Å²	93.6	72%	0.722	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.5	19.6	-155.7	-71.5	-19.7	0	0	0	117.2	S570 T574	S570-N572 VanDerWaalsContact C-N 3.27Å; S570-N572 PolarHBondContact O-N 3.28Å; N572-T574 PolarHBondContact O-N 2.93Å; N572-T574 VanDerWaalsContact O-N 3.08Å
573	L	38.3	Very low	57.9	Low	154 Å²	154	91.7 Å²	91.7	81%	0.806	50%	0.499	S	S	*	.			trans	-84.2	63	162.4	-83.9	160.9	0	0	0	110.7	I575	L573-I575 PolarHBondContact O-N 3.46Å; L573-I575 VanDerWaalsContact O-N 3.09Å
574	T	29.5	Very low	58.2	Low	119 Å²	119	88.8 Å²	88.8	73%	0.73	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	94.3	162.5	47	0	0	0	0	109.5	N572	N572-T574 PolarHBondContact O-N 2.93Å; N572-T574 VanDerWaalsContact O-N 3.08Å
575	I	38.2	Very low	58.6	Low	157 Å²	157	90 Å²	90	81%	0.805	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.3	-34.2	137.2	-63.9	-171.6	0	0	0	110.8	L573	L573-I575 PolarHBondContact O-N 3.46Å; L573-I575 VanDerWaalsContact O-N 3.09Å
576	D	34	Very low	58.8	Low	125 Å²	125	93.9 Å²	93.9	67%	0.668	50%	0.5	S	S	*	.			trans	-126.7	107.5	-179.9	-72.3	-43.6	0	0	0	112.6	L578	D576-L578 PolarHBondContact O-N 2.95Å
577	K	35.9	Very low	59	Low	220 Å²	220	88.8 Å²	88.8	96%	0.957	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	14.7	177.2	-92.7	-178.2	175.1	178.9	0	115.8
578	L	35.7	Very low	59.9	Low	168 Å²	168	86.9 Å²	86.9	88%	0.88	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.7	-2	-175	-128	80.6	0	0	0	115.3	D576 S580	D576-L578 PolarHBondContact O-N 2.95Å; L578-S580 PolarHBondContact O-N 3.3Å
579	S	44.9	Very low	60.8	Low	89 Å²	89	86.6 Å²	86.6	62%	0.622	46%	0.462	S	S	*	.			trans	-88.9	95	173.8	58.2	0	0	0	0	110	E581	S579-E581 PolarHBondContact O-N 2.68Å
580	S	50.5	Low	61.3	Low	88 Å²	88	88 Å²	88	62%	0.615	47%	0.47	S	S	*	.			trans	-34.4	129.9	158.4	53.8	0	0	0	0	110.9	L578 H582	L578-S580 PolarHBondContact O-N 3.3Å; S580-H582 PolarHBondContact O-N 2.82Å
581	E	66	Low	62.6	Low	135 Å²	135	87 Å²	87	63%	0.631	46%	0.46	S	S	*	.			trans	-25.3	91.3	-179	-60.2	173	171.2	0	0	113.9	Q569 S579 C583	Q569-E581 HydrophobicContact CG-CB 4.47Å; Q569-E581 PolarHBondContact NE2-O 3.29Å; S579-E581 PolarHBondContact O-N 2.68Å; E581-C583 PolarHBondContact O-N 3.25Å; E581-C583 VanDerWaalsContact O-N 3.13Å
582	H	78.2	Confident	64.5	Low	56 Å²	56	81.4 Å²	81.4	26%	0.259	42%	0.424	S	S	.	.			trans	-70.8	112.9	-175.1	173.1	45.1	0	0	0	110.2	P367 H368 S535 S580	P367-H582 WeakPolarHBondContact CB-CE1 3.45Å; P367-H582 VanDerWaalsContact CB-ND1 3.35Å; P367-H582 WeakPolarHBondContact CB-ND1 3.42Å; H368-H582 PolarHBondContact O-CE1 3.15Å; H368-H582 PolarHBondContact O-NE2 3.14Å; S535-H582 PolarHBondContact OG-ND1 2.98Å; S580-H582 PolarHBondContact O-N 2.82Å
583	C	83.9	Confident	66.8	Low	7 Å²	7	76.6 Å²	76.6	5%	0.047	40%	0.397	C	S	.	.			trans	-98.5	115	169.3	-173.7	0	0	0	0	110.1	S535 Q569 E581 L585	S535-C583 PolarHBondContact OG-N 3.27Å; S535-C583 VanDerWaalsContact OG-N 3.1Å; S535-C583 PolarHBondContact OG-O 3.33Å; S535-C583 VanDerWaalsContact OG-O 3.09Å; Q569-C583 HydrophobicContact CG-CB 4.38Å; E581-C583 PolarHBondContact O-N 3.25Å; E581-C583 VanDerWaalsContact O-N 3.13Å; C583-L585 PolarHBondContact O-N 3.44Å
584	D	86.7	Confident	68.6	Low	3 Å²	3	72.7 Å²	72.7	2%	0.016	37%	0.372	C	S	.	.			trans	-81.9	102.2	169.7	-176.6	-29.7	0	0	0	109.2	G369 R586 R587 L588 S919	G369-D584 VanDerWaalsContact CA-CG 3.48Å; G369-D584 WeakPolarHBondContact CA-OD1 3.48Å; D584-R586 PolarHBondContact O-N 3.28Å; D584-R586 WeakPolarHBondContact OD1-CA 3.41Å; D584-R586 VanDerWaalsContact OD1-CB 3.23Å; D584-R586 WeakPolarHBondContact OD1-CB 3.2Å; D584-R586 PolarHBondContact OD1-N 2.69Å; D584-R587 HydrophobicContact CB-CB 3.95Å; D584-R587 PolarHBondContact O-N 3.4Å; D584-R587 PolarHBondContact OD1-N 2.87Å; D584-L588 PolarHBondContact O-N 3.15Å; D584-S919 PolarHBondContact OD2-OG 2.77Å
585	L	89.4	Confident	70.6	Confident	32 Å²	32	68.6 Å²	68.6	17%	0.168	34%	0.344	C	S	.	.	H	α-helix	trans	-62.5	-29.6	-177.8	-174.8	61.6	0	0	0	112.7	L228 V541 Y544 I545 C583 L588 I589	L228-L585 HydrophobicContact CB-CD2 4.4Å; L228-L585 HydrophobicContact CD2-CD1 4.39Å; L228-L585 HydrophobicContact CD2-CD2 3.81Å; V541-L585 HydrophobicContact CG1-CD1 4.37Å; Y544-L585 HydrophobicContact CD1-CD1 4.25Å; Y544-L585 HydrophobicContact CE1-CD1 4.25Å; Y544-L585 HydrophobicContact CE1-CD2 4.37Å; I545-L585 HydrophobicContact CG2-CD1 4.5Å; C583-L585 PolarHBondContact O-N 3.44Å; L585-L588 HydrophobicContact CD1-CD2 4.13Å; L585-I589 HydrophobicContact CD1-CD1 4.32Å; L585-I589 HydrophobicContact CD1-CG1 4.37Å; L585-I589 HydrophobicContact CG-CD1 4.01Å; L585-I589 HydrophobicContact CG-CG1 4.48Å; L585-I589 WeakPolarHBondContact O-CD1 3.33Å; L585-I589 VanDerWaalsContact O-CG1 3.23Å; L585-I589 WeakPolarHBondContact O-CG1 3.42Å; L585-I589 PolarHBondContact O-N 3.2Å
586	R	90.3	Very high	72.3	Confident	83 Å²	83	61.1 Å²	61.1	31%	0.313	31%	0.305	S	S	.	.	H	α-helix	trans	-67.4	-47.4	176.9	-174.7	-170.3	-61	136.4	-1.5	110	V216 D584 L588 I589 N590 R917	V216-R586 HydrophobicContact CB-CG 4.36Å; V216-R586 HydrophobicContact CG1-CG 3.65Å; V216-R586 HydrophobicContact CG2-CG 3.7Å; V216-R586 WeakPolarHBondContact CG2-O 3.38Å; D584-R586 PolarHBondContact O-N 3.28Å; D584-R586 WeakPolarHBondContact OD1-CA 3.41Å; D584-R586 VanDerWaalsContact OD1-CB 3.23Å; D584-R586 WeakPolarHBondContact OD1-CB 3.2Å; D584-R586 PolarHBondContact OD1-N 2.69Å; R586-L588 VanDerWaalsContact C-N 3.34Å; R586-I589 PolarHBondContact O-N 2.87Å; R586-N590 PolarHBondContact O-N 3.33Å; R586-N590 VanDerWaalsContact O-N 3.11Å; R586-R917 PolarHBondContact NH1-O 3.46Å
587	R	85.9	Confident	74.1	Confident	38 Å²	38	58.1 Å²	58.1	14%	0.143	29%	0.291	C	S	.	.	H	α-helix	trans	-60.2	-46.5	175.8	-178.4	171.9	174.4	179.4	5.4	110.6	I568 D584 I589 N590 E591 C871	I568-R587 HydrophobicContact CG2-CG 4.2Å; D584-R587 HydrophobicContact CB-CB 3.95Å; D584-R587 PolarHBondContact O-N 3.4Å; D584-R587 PolarHBondContact OD1-N 2.87Å; R587-I589 PolarHBondContact O-N 2.99Å; R587-N590 PolarHBondContact O-N 3.41Å; R587-N590 VanDerWaalsContact O-N 3.15Å; R587-E591 HydrophobicContact CG-CG 4.31Å; R587-E591 WeakPolarHBondContact O-CG 3.36Å; R587-E591 PolarHBondContact O-N 2.95Å; R587-C871 PolarHBondContact NH2-O 3.1Å
588	L	88.2	Confident	75.3	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-56.6	-44.9	177.5	179.8	62.7	0	0	0	113	V541 I545 L564 I565 I568 D584 L585 R586 L592	V541-L588 HydrophobicContact CG1-CD2 3.49Å; V541-L588 VanDerWaalsContact CG1-CD2 3.49Å; I545-L588 HydrophobicContact CD1-CD1 4.38Å; I545-L588 HydrophobicContact CD1-CD2 4.27Å; I545-L588 HydrophobicContact CG2-CD2 3.69Å; I545-L588 HydrophobicContact CG2-CG 4.08Å; L564-L588 HydrophobicContact CD2-CD1 3.8Å; L564-L588 HydrophobicContact CG-CD1 3.87Å; I565-L588 HydrophobicContact CD1-CD2 4.48Å; I565-L588 HydrophobicContact CG1-CD1 3.98Å; I565-L588 HydrophobicContact CG1-CD2 3.92Å; I568-L588 HydrophobicContact CD1-CB 3.87Å; I568-L588 HydrophobicContact CD1-CD1 3.43Å; I568-L588 VanDerWaalsContact CD1-CD1 3.43Å; I568-L588 HydrophobicContact CD1-CG 4.25Å; D584-L588 PolarHBondContact O-N 3.15Å; L585-L588 HydrophobicContact CD1-CD2 4.13Å; R586-L588 VanDerWaalsContact C-N 3.34Å; L588-L592 WeakPolarHBondContact O-CB 3.37Å; L588-L592 PolarHBondContact O-N 3.19Å
589	I	90.5	Very high	76.3	Confident	9 Å²	9	42.3 Å²	42.3	5%	0.046	22%	0.224	C	C	.	.	H	α-helix	trans	-65.9	-39	177.7	-67.9	166.7	0	0	0	111.6	W215 V216 Y544 L548 L585 R586 R587 L592 Q593	W215-I589 HydrophobicContact CB-CG2 3.5Å; W215-I589 VanDerWaalsContact CB-CG2 3.5Å; V216-I589 HydrophobicContact CG2-CB 3.95Å; V216-I589 HydrophobicContact CG2-CG2 3.82Å; Y544-I589 HydrophobicContact CE1-CD1 4.28Å; L548-I589 HydrophobicContact CD1-CD1 4.21Å; L548-I589 HydrophobicContact CD1-CG1 4.02Å; L548-I589 HydrophobicContact CD1-CG2 4.45Å; L585-I589 HydrophobicContact CD1-CD1 4.32Å; L585-I589 HydrophobicContact CD1-CG1 4.37Å; L585-I589 HydrophobicContact CG-CD1 4.01Å; L585-I589 HydrophobicContact CG-CG1 4.48Å; L585-I589 WeakPolarHBondContact O-CD1 3.33Å; L585-I589 VanDerWaalsContact O-CG1 3.23Å; L585-I589 WeakPolarHBondContact O-CG1 3.42Å; L585-I589 PolarHBondContact O-N 3.2Å; R586-I589 PolarHBondContact O-N 2.87Å; R587-I589 PolarHBondContact O-N 2.99Å; I589-L592 PolarHBondContact O-N 3.4Å; I589-Q593 WeakPolarHBondContact O-CB 3.49Å; I589-Q593 PolarHBondContact O-N 3.45Å
590	N	84.7	Confident	76.7	Confident	61 Å²	61	39.8 Å²	39.8	33%	0.326	21%	0.206	S	C	.	.	H	α-helix	trans	-65.9	-45.7	177.1	-80.5	-19.8	0	0	0	112.2	V216 R586 R587 L592 Q593 W594	V216-N590 WeakPolarHBondContact CG2-OD1 3.41Å; R586-N590 PolarHBondContact O-N 3.33Å; R586-N590 VanDerWaalsContact O-N 3.11Å; R587-N590 PolarHBondContact O-N 3.41Å; R587-N590 VanDerWaalsContact O-N 3.15Å; N590-L592 VanDerWaalsContact C-N 3.28Å; N590-L592 PolarHBondContact O-N 3.33Å; N590-Q593 PolarHBondContact O-N 3Å; N590-W594 WeakPolarHBondContact O-CB 3.49Å; N590-W594 PolarHBondContact O-N 2.9Å
591	E	81.4	Confident	76.4	Confident	30 Å²	30	41.4 Å²	41.4	14%	0.14	20%	0.204	C	C	.	.	H	α-helix	trans	-60	-42.2	175.2	-70.6	-62.2	155.2	0	0	110.8	L564 I568 R587 W594 F595	L564-E591 HydrophobicContact CD1-CB 4.32Å; I568-E591 HydrophobicContact CD1-CB 4.26Å; I568-E591 HydrophobicContact CD1-CG 4.09Å; I568-E591 HydrophobicContact CG1-CG 4.33Å; R587-E591 HydrophobicContact CG-CG 4.31Å; R587-E591 WeakPolarHBondContact O-CG 3.36Å; R587-E591 PolarHBondContact O-N 2.95Å; E591-W594 PolarHBondContact O-N 3.05Å; E591-F595 VanDerWaalsContact O-CB 3.28Å; E591-F595 WeakPolarHBondContact O-CB 3.25Å; E591-F595 PolarHBondContact O-N 3.44Å
592	L	84.7	Confident	75.2	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-64.8	-42.9	178.1	-167	67.8	0	0	0	112.4	W215 I545 L548 C549 L556 L564 L588 I589 N590 F595 C596	W215-L592 HydrophobicContact CZ3-CB 4.42Å; W215-L592 HydrophobicContact CZ3-CD2 4.22Å; W215-L592 HydrophobicContact CZ3-CG 4Å; I545-L592 HydrophobicContact CB-CD2 4.02Å; I545-L592 HydrophobicContact CG2-CD2 4.49Å; L548-L592 HydrophobicContact CD2-CD2 4.18Å; C549-L592 WeakPolarHBondContact SG-CD1 3.48Å; C549-L592 WeakPolarHBondContact SG-CD2 3.22Å; C549-L592 WeakPolarHBondContact SG-CG 3.41Å; L556-L592 HydrophobicContact CD2-CD1 4.06Å; L564-L592 HydrophobicContact CD2-CB 4.28Å; L564-L592 HydrophobicContact CD2-CD1 3.59Å; L588-L592 WeakPolarHBondContact O-CB 3.37Å; L588-L592 PolarHBondContact O-N 3.19Å; I589-L592 PolarHBondContact O-N 3.4Å; N590-L592 VanDerWaalsContact C-N 3.28Å; N590-L592 PolarHBondContact O-N 3.33Å; L592-F595 PolarHBondContact O-N 2.99Å; L592-C596 WeakPolarHBondContact O-CB 3.48Å; L592-C596 PolarHBondContact O-N 3.26Å; L592-C596 PolarHBondContact O-SG 3.42Å
593	Q	85.7	Confident	73.5	Confident	33 Å²	33	41.4 Å²	41.4	15%	0.154	20%	0.204	C	C	.	.	H	α-helix	trans	-58.2	-50.6	173.9	179.3	175.9	-3.3	0	0	110.4	W215 I589 N590 F595 C596 T597	W215-Q593 HydrophobicContact CB-CB 4.07Å; W215-Q593 HydrophobicContact CB-CG 4.35Å; W215-Q593 VanDerWaalsContact CD1-CD 3.47Å; W215-Q593 HydrophobicContact CD2-CB 3.5Å; W215-Q593 HydrophobicContact CD2-CG 3.72Å; W215-Q593 HydrophobicContact CE3-CB 3.67Å; W215-Q593 HydrophobicContact CE3-CG 4.36Å; W215-Q593 HydrophobicContact CG-CB 3.7Å; W215-Q593 HydrophobicContact CG-CG 3.69Å; W215-Q593 HydrophobicContact CZ2-CG 4.44Å; W215-Q593 HydrophobicContact CZ3-CB 4.33Å; I589-Q593 WeakPolarHBondContact O-CB 3.49Å; I589-Q593 PolarHBondContact O-N 3.45Å; N590-Q593 PolarHBondContact O-N 3Å; Q593-F595 PolarHBondContact O-N 3.4Å; Q593-C596 PolarHBondContact O-N 3.23Å; Q593-T597 WeakPolarHBondContact O-CG2 3.39Å; Q593-T597 PolarHBondContact O-N 2.87Å; Q593-T597 PolarHBondContact O-OG1 3.15Å
594	W	75.5	Confident	71.1	Confident	73 Å²	73	43.7 Å²	43.7	28%	0.277	22%	0.223	S	C	.	.	H	α-helix	trans	-56.2	-52.1	179.4	-177.1	86.6	0	0	0	110.6	N590 E591 C596 T597 S598 C877 T883	N590-W594 WeakPolarHBondContact O-CB 3.49Å; N590-W594 PolarHBondContact O-N 2.9Å; E591-W594 PolarHBondContact O-N 3.05Å; W594-C596 PolarHBondContact O-N 3.45Å; W594-T597 PolarHBondContact O-N 3.11Å; W594-T597 VanDerWaalsContact O-N 3.15Å; W594-T597 PolarHBondContact O-OG1 3.45Å; W594-S598 PolarHBondContact O-N 3.27Å; W594-S598 PolarHBondContact O-OG 3.26Å; W594-S598 VanDerWaalsContact O-OG 3.06Å; W594-C877 HydrophobicContact CH2-CB 3.72Å; W594-C877 HydrophobicContact CZ3-CB 4.4Å; W594-T883 HydrophobicContact CZ2-CG2 4.46Å
595	F	71.2	Confident	68.7	Low	32 Å²	32	47.8 Å²	47.8	14%	0.14	25%	0.246	C	C	.	.	H	α-helix	trans	-57.2	-45.1	-179.2	-169.5	-82.2	0	0	0	112.5	I161 L163 E591 L592 Q593 A599	I161-F595 HydrophobicContact CB-CE1 4.46Å; I161-F595 HydrophobicContact CB-CE2 3.92Å; I161-F595 HydrophobicContact CB-CZ 3.51Å; I161-F595 HydrophobicContact CG2-CE1 3.71Å; I161-F595 HydrophobicContact CG2-CE2 3.94Å; I161-F595 HydrophobicContact CG2-CZ 3.21Å; I161-F595 WeakPolarHBondContact O-CZ 3.37Å; L163-F595 HydrophobicContact CB-CE1 4.12Å; L163-F595 HydrophobicContact CD1-CD1 3.29Å; L163-F595 HydrophobicContact CD1-CE1 3.45Å; L163-F595 VanDerWaalsContact CD1-CE1 3.45Å; L163-F595 HydrophobicContact CG-CD1 3.94Å; L163-F595 HydrophobicContact CG-CE1 3.53Å; E591-F595 VanDerWaalsContact O-CB 3.28Å; E591-F595 WeakPolarHBondContact O-CB 3.25Å; E591-F595 PolarHBondContact O-N 3.44Å; L592-F595 PolarHBondContact O-N 2.99Å; Q593-F595 PolarHBondContact O-N 3.4Å; F595-A599 PolarHBondContact O-N 2.77Å
596	C	75.7	Confident	66.1	Low	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-67.6	-37.9	178.4	-64.7	0	0	0	0	112.7	L163 W215 Y554 L592 Q593 W594	L163-C596 HydrophobicContact CD1-CB 4.5Å; L163-C596 WeakPolarHBondContact CD1-SG 3.45Å; W215-C596 HydrophobicContact CH2-CB 3.62Å; W215-C596 HydrophobicContact CZ2-CB 4.2Å; W215-C596 HydrophobicContact CZ3-CB 4.48Å; Y554-C596 HydrophobicContact CD1-CB 4.25Å; Y554-C596 HydrophobicContact CD2-CB 3.79Å; Y554-C596 HydrophobicContact CE1-CB 4.15Å; Y554-C596 WeakPolarHBondContact CE1-O 3.23Å; Y554-C596 HydrophobicContact CE2-CB 3.74Å; Y554-C596 HydrophobicContact CG-CB 4.06Å; Y554-C596 PolarHBondContact OH-O 3.19Å; L592-C596 WeakPolarHBondContact O-CB 3.48Å; L592-C596 PolarHBondContact O-N 3.26Å; L592-C596 PolarHBondContact O-SG 3.42Å; Q593-C596 PolarHBondContact O-N 3.23Å; W594-C596 PolarHBondContact O-N 3.45Å
597	T	69.9	Low	63.5	Low	62 Å²	62	56.6 Å²	56.6	38%	0.38	28%	0.281	S	S	.	.	H	α-helix	trans	-70.3	-38.2	178.2	51.9	0	0	0	0	112.4	Q593 W594 S600	Q593-T597 WeakPolarHBondContact O-CG2 3.39Å; Q593-T597 PolarHBondContact O-N 2.87Å; Q593-T597 PolarHBondContact O-OG1 3.15Å; W594-T597 PolarHBondContact O-N 3.11Å; W594-T597 VanDerWaalsContact O-N 3.15Å; W594-T597 PolarHBondContact O-OG1 3.45Å; T597-S600 PolarHBondContact O-N 2.79Å; T597-S600 PolarHBondContact O-OG 2.76Å
598	S	61.3	Low	60.9	Low	33 Å²	33	61.2 Å²	61.2	23%	0.231	30%	0.299	C	S	.	.	H	α-helix	trans	-66.1	-39.6	179	-61.1	0	0	0	0	112.8	W594 S600 H601 E602	W594-S598 PolarHBondContact O-N 3.27Å; W594-S598 PolarHBondContact O-OG 3.26Å; W594-S598 VanDerWaalsContact O-OG 3.06Å; S598-S600 PolarHBondContact O-N 3.28Å; S598-S600 VanDerWaalsContact O-N 3.17Å; S598-H601 PolarHBondContact O-N 3.1Å; S598-E602 PolarHBondContact O-N 3.35Å
599	A	57.9	Low	58.2	Low	23 Å²	23	65.7 Å²	65.7	19%	0.19	32%	0.323	C	S	.	.	H	α-helix	trans	-56.6	-34.6	178.5	0	0	0	0	0	113.1	F595 H601 E603	F595-A599 PolarHBondContact O-N 2.77Å; A599-H601 VanDerWaalsContact C-N 3.35Å; A599-E603 PolarHBondContact O-N 3.36Å
600	S	52	Low	55.4	Low	36 Å²	36	72.1 Å²	72.1	25%	0.252	35%	0.353	S	S	.	.	H	α-helix	trans	-70.8	-29.4	178.1	72.5	0	0	0	0	113.7	T597 S598 A604	T597-S600 PolarHBondContact O-N 2.79Å; T597-S600 PolarHBondContact O-OG 2.76Å; S598-S600 PolarHBondContact O-N 3.28Å; S598-S600 VanDerWaalsContact O-N 3.17Å; S600-A604 PolarHBondContact O-N 3.13Å
601	H	44.3	Very low	52.9	Low	123 Å²	123	74.5 Å²	74.5	57%	0.569	36%	0.364	S	S	*	.	H	α-helix	trans	-75.9	-35.4	176.9	-91.4	-79.8	0	0	0	111.9	S598 A599 A604 N605	S598-H601 PolarHBondContact O-N 3.1Å; A599-H601 VanDerWaalsContact C-N 3.35Å; H601-A604 PolarHBondContact O-N 3.33Å; H601-N605 WeakPolarHBondContact O-CB 3.41Å; H601-N605 VanDerWaalsContact O-CG 3.28Å; H601-N605 PolarHBondContact O-N 3.16Å
602	E	42.7	Very low	50.4	Low	88 Å²	88	77.8 Å²	77.8	41%	0.411	38%	0.378	S	S	.	.	H	α-helix	trans	-64.4	-39.7	176.7	-73.9	-171	-176.3	0	0	112.8	S598 A604 N605 R606	S598-E602 PolarHBondContact O-N 3.35Å; E602-A604 VanDerWaalsContact C-N 3.33Å; E602-A604 PolarHBondContact O-N 3.41Å; E602-N605 PolarHBondContact O-N 3.03Å; E602-R606 WeakPolarHBondContact O-CG 3.43Å; E602-R606 PolarHBondContact O-N 3.21Å
603	E	41.2	Very low	47.9	Very low	103 Å²	103	83.8 Å²	83.8	48%	0.481	41%	0.41	S	S	.	.	H	α-helix	trans	-61.7	-40.5	174.1	-73	-177.4	163.2	0	0	112	A599 K607	A599-E603 PolarHBondContact O-N 3.36Å; E603-K607 PolarHBondContact O-N 3.13Å
604	A	34.3	Very low	45.4	Very low	54 Å²	54	90.6 Å²	90.6	45%	0.446	44%	0.442	S	S	.	.	H	α-helix	trans	-67.8	-41.8	175.8	0	0	0	0	0	111.8	S600 H601 E602 R606 K607 Y608	S600-A604 PolarHBondContact O-N 3.13Å; H601-A604 PolarHBondContact O-N 3.33Å; E602-A604 VanDerWaalsContact C-N 3.33Å; E602-A604 PolarHBondContact O-N 3.41Å; A604-R606 PolarHBondContact O-N 2.99Å; A604-K607 WeakPolarHBondContact O-CB 3.34Å; A604-K607 PolarHBondContact O-N 3.33Å; A604-Y608 PolarHBondContact O-N 3.16Å
605	N	34.9	Very low	43.2	Very low	90 Å²	90	92.4 Å²	92.4	48%	0.481	46%	0.457	S	S	.	.	H	α-helix	trans	-65.7	-36.1	176.8	-75.3	-13	0	0	0	111.9	H601 E602 Y608 N609	H601-N605 WeakPolarHBondContact O-CB 3.41Å; H601-N605 VanDerWaalsContact O-CG 3.28Å; H601-N605 PolarHBondContact O-N 3.16Å; E602-N605 PolarHBondContact O-N 3.03Å; N605-Y608 PolarHBondContact O-N 3.42Å; N605-N609 WeakPolarHBondContact O-CB 3.39Å; N605-N609 VanDerWaalsContact O-CG 3.27Å; N605-N609 PolarHBondContact O-N 2.82Å; N605-N609 PolarHBondContact O-ND2 3.18Å
606	R	36.2	Very low	41.1	Very low	136 Å²	136	93.3 Å²	93.3	51%	0.513	47%	0.468	S	S	.	.	H	α-helix	trans	-62.8	-43.4	171.7	-74.4	-174	-138.7	-175.9	0.6	112	Y162 E602 A604 Y608 N609 H610	Y162-R606 VanDerWaalsContact CE1-NH2 3.27Å; E602-R606 WeakPolarHBondContact O-CG 3.43Å; E602-R606 PolarHBondContact O-N 3.21Å; A604-R606 PolarHBondContact O-N 2.99Å; R606-Y608 VanDerWaalsContact C-N 3.32Å; R606-Y608 PolarHBondContact O-N 3.29Å; R606-N609 PolarHBondContact O-N 3.41Å; R606-H610 PolarHBondContact O-N 3.33Å
607	K	34.7	Very low	38.9	Very low	163 Å²	163	100.8 Å²	100.8	71%	0.709	51%	0.506	S	S	*	.	H	α-helix	trans	-60.2	-42.1	173.5	-92.6	-179.1	176.8	176.1	0	111.9	E603 A604 H610 I611	E603-K607 PolarHBondContact O-N 3.13Å; A604-K607 WeakPolarHBondContact O-CB 3.34Å; A604-K607 PolarHBondContact O-N 3.33Å; K607-H610 PolarHBondContact O-N 2.81Å; K607-I611 WeakPolarHBondContact O-CG1 3.47Å; K607-I611 PolarHBondContact O-N 3.23Å
608	Y	31	Very low	36.9	Very low	135 Å²	135	104.5 Å²	104.5	53%	0.529	52%	0.523	S	S	.	.	H	α-helix	trans	-68.4	-41.2	178.7	-162.9	-96.8	0	0	0	112.6	A604 N605 R606 H610 I611 K612	A604-Y608 PolarHBondContact O-N 3.16Å; N605-Y608 PolarHBondContact O-N 3.42Å; R606-Y608 VanDerWaalsContact C-N 3.32Å; R606-Y608 PolarHBondContact O-N 3.29Å; Y608-H610 VanDerWaalsContact C-N 3.27Å; Y608-H610 PolarHBondContact O-N 3.03Å; Y608-I611 PolarHBondContact O-N 2.95Å; Y608-I611 VanDerWaalsContact O-N 3.12Å; Y608-K612 HydrophobicContact CE1-CD 4.43Å; Y608-K612 HydrophobicContact CE1-CG 4.49Å; Y608-K612 PolarHBondContact O-N 2.88Å; Y608-K612 VanDerWaalsContact O-N 3.07Å
609	N	31.5	Very low	35.3	Very low	94 Å²	94	105.9 Å²	105.9	50%	0.503	53%	0.527	S	S	.	.	H	α-helix	trans	-65.1	-31.3	176.4	-75.5	-18	0	0	0	112.2	N605 R606 I611 K612	N605-N609 WeakPolarHBondContact O-CB 3.39Å; N605-N609 VanDerWaalsContact O-CG 3.27Å; N605-N609 PolarHBondContact O-N 2.82Å; N605-N609 PolarHBondContact O-ND2 3.18Å; R606-N609 PolarHBondContact O-N 3.41Å; N609-I611 VanDerWaalsContact C-N 3.31Å; N609-I611 PolarHBondContact O-N 3.26Å; N609-K612 PolarHBondContact O-N 2.73Å
610	H	33	Very low	33.9	Very low	145 Å²	145	110.2 Å²	110.2	67%	0.671	55%	0.547	S	S	*	.	H	α-helix	trans	-67.8	-30.4	173.6	-127.9	-63.4	0	0	0	113.1	R606 K607 Y608	R606-H610 PolarHBondContact O-N 3.33Å; K607-H610 PolarHBondContact O-N 2.81Å; Y608-H610 VanDerWaalsContact C-N 3.27Å; Y608-H610 PolarHBondContact O-N 3.03Å
611	I	32.3	Very low	33	Very low	111 Å²	111	116.8 Å²	116.8	57%	0.569	57%	0.574	S	S	*	*	H	α-helix	trans	-78	-30.5	175.9	-61.9	167	0	0	0	110.9	K607 Y608 N609 N613 E614	K607-I611 WeakPolarHBondContact O-CG1 3.47Å; K607-I611 PolarHBondContact O-N 3.23Å; Y608-I611 PolarHBondContact O-N 2.95Å; Y608-I611 VanDerWaalsContact O-N 3.12Å; N609-I611 VanDerWaalsContact C-N 3.31Å; N609-I611 PolarHBondContact O-N 3.26Å; I611-N613 PolarHBondContact O-N 3.34Å; I611-E614 PolarHBondContact O-N 3.06Å
612	K	29.1	Very low	32.4	Very low	99 Å²	99	118.2 Å²	118.2	43%	0.43	58%	0.579	S	S	.	*	H	α-helix	trans	-63.3	-22.8	179	-105.6	-175.3	174.2	-179.8	0	114.6	Y608 N609 E614 N615 S616	Y608-K612 HydrophobicContact CE1-CD 4.43Å; Y608-K612 HydrophobicContact CE1-CG 4.49Å; Y608-K612 PolarHBondContact O-N 2.88Å; Y608-K612 VanDerWaalsContact O-N 3.07Å; N609-K612 PolarHBondContact O-N 2.73Å; K612-E614 VanDerWaalsContact C-N 3.26Å; K612-E614 PolarHBondContact O-N 2.87Å; K612-N615 PolarHBondContact O-N 2.94Å; K612-S616 PolarHBondContact O-N 2.83Å
613	N	32.5	Very low	32	Very low	127 Å²	127	119.8 Å²	119.8	68%	0.679	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	-23.7	179.7	-85.5	-7.3	0	0	0	113.6	I611 S616	I611-N613 PolarHBondContact O-N 3.34Å; N613-S616 PolarHBondContact O-OG 3.34Å
614	E	32.2	Very low	31.8	Very low	176 Å²	176	118 Å²	118	82%	0.822	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-25.7	176.6	-68.3	-166	159.2	0	0	113.7	I611 K612 S616	I611-E614 PolarHBondContact O-N 3.06Å; K612-E614 VanDerWaalsContact C-N 3.26Å; K612-E614 PolarHBondContact O-N 2.87Å; E614-S616 VanDerWaalsContact C-N 3.34Å
615	N	28.3	Very low	32.2	Very low	111 Å²	111	118.5 Å²	118.5	59%	0.594	58%	0.578	S	S	*	*	S	Bend	trans	-92.4	11.1	178.5	-72.5	-23.1	0	0	0	114	K612 L617 I618	K612-N615 PolarHBondContact O-N 2.94Å; N615-L617 PolarHBondContact O-N 3.31Å; N615-L617 VanDerWaalsContact O-N 3.15Å; N615-I618 PolarHBondContact O-N 3.47Å
616	S	28.7	Very low	32.4	Very low	51 Å²	51	115.6 Å²	115.6	36%	0.357	56%	0.564	S	S	.	*	H	α-helix	trans	-66.3	-11.5	-177.8	62.5	0	0	0	0	114.8	K612 N613 E614 N620	K612-S616 PolarHBondContact O-N 2.83Å; N613-S616 PolarHBondContact O-OG 3.34Å; E614-S616 VanDerWaalsContact C-N 3.34Å; S616-N620 PolarHBondContact O-ND2 3.47Å
617	L	28.2	Very low	32.7	Very low	156 Å²	156	111 Å²	111	82%	0.817	55%	0.549	S	S	*	.	H	α-helix	trans	-74.5	-24.6	179.1	-77.7	169.2	0	0	0	114.5	N615	N615-L617 PolarHBondContact O-N 3.31Å; N615-L617 VanDerWaalsContact O-N 3.15Å
618	I	28.7	Very low	33.3	Very low	141 Å²	141	106.4 Å²	106.4	72%	0.723	53%	0.532	S	S	*	.	H	α-helix	trans	-91	-17.7	-178.6	-58.8	177.7	0	0	0	111.9	N615	N615-I618 PolarHBondContact O-N 3.47Å
619	L	27.3	Very low	34	Very low	61 Å²	61	103.1 Å²	103.1	32%	0.319	52%	0.523	S	S	.	.	H	α-helix	trans	-97.2	-15.1	-173.5	-77.8	164.9	0	0	0	115.1	E621 F622	L619-E621 PolarHBondContact O-N 3Å; L619-F622 PolarHBondContact O-N 2.91Å
620	N	29.1	Very low	34.5	Very low	114 Å²	114	100 Å²	100	61%	0.61	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-18.6	-177.3	-73.4	-17.1	0	0	0	113.9	S616 F622	S616-N620 PolarHBondContact O-ND2 3.47Å; N620-F622 VanDerWaalsContact C-N 3.3Å
621	E	33.6	Very low	35.4	Very low	174 Å²	174	98 Å²	98	81%	0.813	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-14.6	172.7	-123	-179.9	176.7	0	0	113.2	L619	L619-E621 PolarHBondContact O-N 3Å
622	F	31	Very low	36.1	Very low	153 Å²	153	99.8 Å²	99.8	67%	0.671	50%	0.502	S	S	*	.	S	Bend	trans	-106.7	-0.7	-174.7	-81.7	-82.9	0	0	0	114.6	L619 N620	L619-F622 PolarHBondContact O-N 2.91Å; N620-F622 VanDerWaalsContact C-N 3.3Å
623	I	33.4	Very low	36.6	Very low	122 Å²	122	97.3 Å²	97.3	63%	0.626	49%	0.493	S	S	*	.			trans	-112	50.2	176.3	-46.1	170.6	0	0	0	108.8
624	D	37	Very low	37.2	Very low	65 Å²	65	91.2 Å²	91.2	35%	0.348	46%	0.461	S	S	.	.	S	Bend	trans	-72.1	136.8	153.3	-93.7	-26.6	0	0	0	106.9	N628 K632	D624-N628 HydrophobicContact CB-CB 4.07Å; D624-K632 IonicContact OD2-NZ 2.72Å; D624-K632 PolarHBondContact OD2-NZ 2.74Å
625	D	42.6	Very low	38.1	Very low	65 Å²	65	86 Å²	86	35%	0.348	44%	0.443	S	S	.	.			trans	-40	125.9	170.9	-177.7	-21.3	0	0	0	108.6	L627 N628 L629	D625-L627 CarbonylContact O-C 3.55Å; D625-L627 PolarHBondContact O-N 3.5Å; D625-L627 PolarHBondContact OD1-N 2.85Å; D625-L627 VanDerWaalsContact OD1-N 3.08Å; D625-N628 WeakPolarHBondContact O-CA 3.28Å; D625-N628 VanDerWaalsContact O-CB 3.23Å; D625-N628 WeakPolarHBondContact O-CB 3.34Å; D625-N628 PolarHBondContact O-N 3.17Å; D625-L629 PolarHBondContact O-N 3.4Å
626	P	40.7	Very low	39.1	Very low	29 Å²	29	82.5 Å²	82.5	19%	0.188	43%	0.427	C	S	.	.	H	α-helix	trans	-51.6	-25	-178.5	9.9	-22.4	0	0	0	113.3	L629 V630 L716 T720	P626-L629 WeakPolarHBondContact O-CB 3.5Å; P626-L629 PolarHBondContact O-N 3.23Å; P626-L629 VanDerWaalsContact O-N 3.16Å; P626-V630 WeakPolarHBondContact O-CG2 3.45Å; P626-V630 PolarHBondContact O-N 3.23Å; P626-L716 HydrophobicContact CB-CD2 4.43Å; P626-T720 HydrophobicContact CB-CG2 4.09Å; P626-T720 HydrophobicContact CG-CG2 3.19Å
627	L	41.7	Very low	39.9	Very low	40 Å²	40	81.3 Å²	81.3	21%	0.209	42%	0.416	C	S	.	.	H	α-helix	trans	-61.4	-40.4	168.4	-74	171.4	0	0	0	113.5	D625 L629 V630 Q631 L713 K717	D625-L627 CarbonylContact O-C 3.55Å; D625-L627 PolarHBondContact O-N 3.5Å; D625-L627 PolarHBondContact OD1-N 2.85Å; D625-L627 VanDerWaalsContact OD1-N 3.08Å; L627-L629 VanDerWaalsContact C-N 3.26Å; L627-L629 PolarHBondContact O-N 2.95Å; L627-V630 PolarHBondContact O-N 3.46Å; L627-Q631 WeakPolarHBondContact O-CB 3.49Å; L627-Q631 PolarHBondContact O-N 3.03Å; L627-L713 HydrophobicContact CD2-CB 3.97Å; L627-L713 HydrophobicContact CD2-CD2 3.76Å; L627-L713 HydrophobicContact CD2-CG 4.38Å; L627-K717 HydrophobicContact CD1-CB 3.85Å; L627-K717 HydrophobicContact CD1-CD 3.79Å; L627-K717 HydrophobicContact CD1-CG 3.68Å; L627-K717 HydrophobicContact CG-CB 4.45Å
628	N	48.1	Very low	40.8	Very low	66 Å²	66	74.7 Å²	74.7	35%	0.353	38%	0.382	S	S	.	.	H	α-helix	trans	-63.5	-34.5	172.1	-69.4	-21.1	0	0	0	111.2	D624 D625 Q631 K632	D624-N628 HydrophobicContact CB-CB 4.07Å; D625-N628 WeakPolarHBondContact O-CA 3.28Å; D625-N628 VanDerWaalsContact O-CB 3.23Å; D625-N628 WeakPolarHBondContact O-CB 3.34Å; D625-N628 PolarHBondContact O-N 3.17Å; N628-Q631 PolarHBondContact O-N 3.29Å; N628-K632 WeakPolarHBondContact O-CB 3.45Å; N628-K632 WeakPolarHBondContact O-CG 3.07Å; N628-K632 PolarHBondContact O-N 3.17Å
629	L	45.2	Very low	41.8	Very low	65 Å²	65	73.1 Å²	73.1	34%	0.34	38%	0.376	S	S	.	.	H	α-helix	trans	-67.4	-44.7	175.3	-151.9	99	0	0	0	110.9	D625 P626 L627 Q631 K632 I633 L818	D625-L629 PolarHBondContact O-N 3.4Å; P626-L629 WeakPolarHBondContact O-CB 3.5Å; P626-L629 PolarHBondContact O-N 3.23Å; P626-L629 VanDerWaalsContact O-N 3.16Å; L627-L629 VanDerWaalsContact C-N 3.26Å; L627-L629 PolarHBondContact O-N 2.95Å; L629-Q631 VanDerWaalsContact C-N 3.32Å; L629-Q631 PolarHBondContact O-N 3.37Å; L629-K632 PolarHBondContact O-N 3.47Å; L629-I633 HydrophobicContact CD2-CD1 3.61Å; L629-I633 HydrophobicContact CG-CD1 3.88Å; L629-I633 WeakPolarHBondContact O-CB 3.28Å; L629-I633 WeakPolarHBondContact O-CD1 3.49Å; L629-I633 WeakPolarHBondContact O-CG1 3.46Å; L629-I633 PolarHBondContact O-N 3.49Å; L629-L818 HydrophobicContact CD2-CD2 3.93Å
630	V	42.8	Very low	42.6	Very low	30 Å²	30	73.5 Å²	73.5	18%	0.182	38%	0.377	C	S	.	.	H	α-helix	trans	-60.7	-42.8	174.8	175.8	0	0	0	0	110.6	P626 L627 K632 I633 S634 L713 L716	P626-V630 WeakPolarHBondContact O-CG2 3.45Å; P626-V630 PolarHBondContact O-N 3.23Å; L627-V630 PolarHBondContact O-N 3.46Å; V630-K632 VanDerWaalsContact C-N 3.35Å; V630-K632 PolarHBondContact O-N 3.42Å; V630-I633 PolarHBondContact O-N 2.68Å; V630-S634 PolarHBondContact O-N 3.1Å; V630-L713 HydrophobicContact CG1-CD2 3.99Å; V630-L716 HydrophobicContact CG2-CD2 4.23Å
631	Q	50.7	Low	43.1	Very low	103 Å²	103	70 Å²	70	48%	0.481	36%	0.362	S	S	.	.	H	α-helix	trans	-64.9	-35.7	176.6	-165	174.8	19.1	0	0	112.7	L627 N628 L629 P635 C638	L627-Q631 WeakPolarHBondContact O-CB 3.49Å; L627-Q631 PolarHBondContact O-N 3.03Å; N628-Q631 PolarHBondContact O-N 3.29Å; L629-Q631 VanDerWaalsContact C-N 3.32Å; L629-Q631 PolarHBondContact O-N 3.37Å; Q631-P635 WeakPolarHBondContact O-CA 3.33Å; Q631-P635 WeakPolarHBondContact O-CB 3.25Å; Q631-P635 WeakPolarHBondContact O-CD 3.46Å; Q631-C638 HydrophobicContact CG-CB 4.24Å
632	K	47.8	Very low	43.4	Very low	147 Å²	147	64.5 Å²	64.5	64%	0.639	35%	0.352	S	S	*	.	H	α-helix	trans	-69.5	-37.8	172.8	-81.9	175.4	179.2	168.1	0	112.6	D624 N628 L629 V630	D624-K632 IonicContact OD2-NZ 2.72Å; D624-K632 PolarHBondContact OD2-NZ 2.74Å; N628-K632 WeakPolarHBondContact O-CB 3.45Å; N628-K632 WeakPolarHBondContact O-CG 3.07Å; N628-K632 PolarHBondContact O-N 3.17Å; L629-K632 PolarHBondContact O-N 3.47Å; V630-K632 VanDerWaalsContact C-N 3.35Å; V630-K632 PolarHBondContact O-N 3.42Å
633	I	38.6	Very low	43.4	Very low	47 Å²	47	66.1 Å²	66.1	24%	0.241	36%	0.355	C	S	.	.	H	α-helix	trans	-80.7	-38	-175.4	-63.2	166.1	0	0	0	111.2	L629 V630 R822 L825	L629-I633 HydrophobicContact CD2-CD1 3.61Å; L629-I633 HydrophobicContact CG-CD1 3.88Å; L629-I633 WeakPolarHBondContact O-CB 3.28Å; L629-I633 WeakPolarHBondContact O-CD1 3.49Å; L629-I633 WeakPolarHBondContact O-CG1 3.46Å; L629-I633 PolarHBondContact O-N 3.49Å; V630-I633 PolarHBondContact O-N 2.68Å; I633-R822 HydrophobicContact CG2-CB 4.19Å; I633-R822 HydrophobicContact CG2-CG 4.02Å; I633-L825 HydrophobicContact CB-CD2 4.19Å; I633-L825 HydrophobicContact CG2-CD2 3.7Å
634	S	45.6	Very low	43.1	Very low	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.352	C	S	.	.			trans	-144.5	82.8	177.2	-173.3	0	0	0	0	111.6	V630 S636 L637 L825 E829	V630-S634 PolarHBondContact O-N 3.1Å; S634-S636 VanDerWaalsContact C-N 3.25Å; S634-S636 PolarHBondContact O-N 3.36Å; S634-L637 PolarHBondContact O-N 3.39Å; S634-L637 WeakPolarHBondContact OG-CB 3.35Å; S634-L825 VanDerWaalsContact CB-CD2 3.43Å; S634-E829 PolarHBondContact OG-OE2 2.97Å
635	P	52.1	Low	42.8	Very low	67 Å²	67	68.5 Å²	68.5	44%	0.435	37%	0.372	S	S	.	.	H	α-helix	trans	-65.5	-27.5	179.9	22.2	-30.8	0	0	0	112.9	Q631 L637 C638 N639	Q631-P635 WeakPolarHBondContact O-CA 3.33Å; Q631-P635 WeakPolarHBondContact O-CB 3.25Å; Q631-P635 WeakPolarHBondContact O-CD 3.46Å; P635-L637 VanDerWaalsContact C-N 3.35Å; P635-C638 PolarHBondContact O-N 3Å; P635-N639 WeakPolarHBondContact O-CB 3.44Å; P635-N639 PolarHBondContact O-N 3.36Å; P635-N639 PolarHBondContact O-ND2 2.99Å; P635-N639 PolarHBondContact O-OD1 3.23Å
636	S	48.6	Very low	41.9	Very low	37 Å²	37	72.2 Å²	72.2	26%	0.259	39%	0.392	S	S	.	.	H	α-helix	trans	-67.7	-34	179.5	63.3	0	0	0	0	112.8	S634 N639 L640 E829	S634-S636 VanDerWaalsContact C-N 3.25Å; S634-S636 PolarHBondContact O-N 3.36Å; S636-N639 PolarHBondContact O-N 3.12Å; S636-L640 PolarHBondContact O-N 3.45Å; S636-L640 VanDerWaalsContact O-N 3.11Å; S636-E829 WeakPolarHBondContact CB-OE1 3.41Å; S636-E829 WeakPolarHBondContact OG-CG 3.31Å; S636-E829 PolarHBondContact OG-OE1 3.4Å; S636-E829 PolarHBondContact OG-OE2 3.04Å
637	L	44.6	Very low	41.3	Very low	25 Å²	25	74.9 Å²	74.9	13%	0.131	41%	0.409	C	S	.	.	H	α-helix	trans	-71.8	-37.7	178.1	-143.6	145.4	0	0	0	110.5	S634 P635 L640 I709 L825	S634-L637 PolarHBondContact O-N 3.39Å; S634-L637 WeakPolarHBondContact OG-CB 3.35Å; P635-L637 VanDerWaalsContact C-N 3.35Å; L637-L640 PolarHBondContact O-N 2.72Å; L637-I709 HydrophobicContact CD2-CD1 3.86Å; L637-I709 HydrophobicContact CD2-CG1 3.95Å; L637-I709 HydrophobicContact CD2-CG2 3.81Å; L637-I709 HydrophobicContact CG-CD1 4.36Å; L637-L825 HydrophobicContact CD1-CD1 4.19Å
638	C	47.5	Very low	40.5	Very low	17 Å²	17	82.3 Å²	82.3	12%	0.115	44%	0.44	C	S	.	.	H	α-helix	trans	-67.3	-34	167.4	-65	0	0	0	0	112.3	Q631 P635 L640 S641	Q631-C638 HydrophobicContact CG-CB 4.24Å; P635-C638 PolarHBondContact O-N 3Å; C638-L640 PolarHBondContact O-N 3.04Å; C638-S641 WeakPolarHBondContact O-CA 3.23Å; C638-S641 VanDerWaalsContact O-CB 3.32Å; C638-S641 WeakPolarHBondContact O-CB 3.34Å; C638-S641 PolarHBondContact O-N 3.32Å; C638-S641 PolarHBondContact O-OG 3.25Å
639	N	49.3	Very low	39.4	Very low	109 Å²	109	84.6 Å²	84.6	58%	0.583	46%	0.459	S	S	*	.	H	α-helix	trans	-71.1	-15.8	176	-68.9	-22.9	0	0	0	113.6	P635 S636 S641	P635-N639 WeakPolarHBondContact O-CB 3.44Å; P635-N639 PolarHBondContact O-N 3.36Å; P635-N639 PolarHBondContact O-ND2 2.99Å; P635-N639 PolarHBondContact O-OD1 3.23Å; S636-N639 PolarHBondContact O-N 3.12Å; N639-S641 VanDerWaalsContact C-N 3.34Å
640	L	44.9	Very low	38.4	Very low	68 Å²	68	87 Å²	87	36%	0.356	48%	0.481	S	S	.	.	H	α-helix	trans	-76.4	-23.9	168.3	-74.6	161	0	0	0	111.8	S636 L637 C638 S706 I709	S636-L640 PolarHBondContact O-N 3.45Å; S636-L640 VanDerWaalsContact O-N 3.11Å; L637-L640 PolarHBondContact O-N 2.72Å; C638-L640 PolarHBondContact O-N 3.04Å; L640-S706 WeakPolarHBondContact O-CB 3.48Å; L640-I709 HydrophobicContact CB-CD1 4.12Å; L640-I709 HydrophobicContact CD1-CD1 4.4Å
641	S	39.7	Very low	37.7	Very low	41 Å²	41	91.8 Å²	91.8	29%	0.287	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	129.5	164.9	78.1	0	0	0	0	109.3	C638 N639 D710	C638-S641 WeakPolarHBondContact O-CA 3.23Å; C638-S641 VanDerWaalsContact O-CB 3.32Å; C638-S641 WeakPolarHBondContact O-CB 3.34Å; C638-S641 PolarHBondContact O-N 3.32Å; C638-S641 PolarHBondContact O-OG 3.25Å; N639-S641 VanDerWaalsContact C-N 3.34Å; S641-D710 WeakPolarHBondContact CB-OD1 3.44Å
642	G	39.3	Very low	36.4	Very low	58 Å²	58	94.6 Å²	94.6	60%	0.598	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.7	5.1	176.2	0	0	0	0	0	117.2	I644	G642-I644 PolarHBondContact O-N 3.05Å
643	Y	31.6	Very low	35.4	Very low	187 Å²	187	92.2 Å²	92.2	73%	0.733	53%	0.53	S	S	*	.			trans	-72.7	55.3	159.6	-85.4	-81	0	0	0	111.5
644	I	27.7	Very low	34.8	Very low	111 Å²	111	99.5 Å²	99.5	57%	0.569	56%	0.56	S	S	*	*			trans	-118.1	69.9	162	-52.8	178.3	0	0	0	106.3	G642 N646	G642-I644 PolarHBondContact O-N 3.05Å; I644-N646 VanDerWaalsContact C-N 3.26Å; I644-N646 PolarHBondContact O-N 3.48Å; I644-N646 VanDerWaalsContact O-N 3.13Å
645	V	28.7	Very low	33.7	Very low	127 Å²	127	104.8 Å²	104.8	77%	0.77	60%	0.596	S	S	*	*			trans	-78.6	89.2	157.3	-179.6	0	0	0	0	106.3	P647	V645-P647 WeakPolarHBondContact O-CD 3.35Å
646	N	25.2	Very low	32.4	Very low	142 Å²	142	108 Å²	108	76%	0.759	61%	0.614	S	S	*	*			trans	26.7	76.1	156.3	-74.3	-43.1	0	0	0	116.7	I644 K648	I644-N646 VanDerWaalsContact C-N 3.26Å; I644-N646 PolarHBondContact O-N 3.48Å; I644-N646 VanDerWaalsContact O-N 3.13Å; N646-K648 PolarHBondContact O-N 2.89Å
647	P	27.4	Very low	31.3	Very low	86 Å²	86	112.1 Å²	112.1	56%	0.558	63%	0.632	S	S	*	*			trans	-82.1	98.9	146.8	30	-18.5	0	0	0	105.2	V645 P649	V645-P647 WeakPolarHBondContact O-CD 3.35Å; P647-P649 WeakPolarHBondContact O-CD 3.42Å
648	K	24.1	Very low	30.3	Very low	196 Å²	196	118.4 Å²	118.4	85%	0.852	66%	0.66	S	S	*	*			trans	-41.7	115.5	164.8	-86.6	176.5	174.8	173.5	0	107.2	N646 S650	N646-K648 PolarHBondContact O-N 2.89Å; K648-S650 PolarHBondContact O-N 3.15Å; K648-S650 VanDerWaalsContact O-N 3.11Å
649	P	26.6	Very low	29.3	Very low	114 Å²	114	123.7 Å²	123.7	74%	0.74	69%	0.687	S	S	*	*			trans	-69.5	117.3	-171.9	25.2	-30	0	0	0	107.5	P647 V651	P647-P649 WeakPolarHBondContact O-CD 3.42Å; P649-V651 PolarHBondContact O-N 3.07Å
650	S	24.4	Very low	28.3	Very low	116 Å²	116	124 Å²	124	81%	0.811	69%	0.689	S	S	*	*			trans	-64	107.5	161.5	42.7	0	0	0	0	106.6	K648 N652	K648-S650 PolarHBondContact O-N 3.15Å; K648-S650 VanDerWaalsContact O-N 3.11Å; S650-N652 PolarHBondContact O-N 3.15Å
651	V	26.6	Very low	27.6	Very low	130 Å²	130	125.5 Å²	125.5	79%	0.788	70%	0.697	S	S	*	*			trans	-53.5	103.5	177.9	178.5	0	0	0	0	108.6	P649	P649-V651 PolarHBondContact O-N 3.07Å
652	N	25	Very low	27.1	Very low	161 Å²	161	127.9 Å²	127.9	86%	0.861	71%	0.712	S	S	*	*			trans	-119.8	103.1	157.7	-103.7	-14.6	0	0	0	108.1	S650	S650-N652 PolarHBondContact O-N 3.15Å
653	S	26.6	Very low	26.8	Very low	97 Å²	97	129.2 Å²	129.2	68%	0.678	71%	0.706	S	S	*	*			trans	-51.9	130.6	174	53.2	0	0	0	0	111.8
654	K	25.6	Very low	26.8	Very low	201 Å²	201	123.4 Å²	123.4	87%	0.874	69%	0.687	S	S	*	*			trans	130.9	67.1	156.3	-73.2	174.4	-179.3	-179.5	0	112
655	C	22.8	Very low	27.1	Very low	111 Å²	111	122.6 Å²	122.6	75%	0.75	68%	0.68	S	S	*	*			trans	-144.3	96.9	145.3	-151.1	0	0	0	0	106.5	I657	C655-I657 VanDerWaalsContact C-N 3.33Å; C655-I657 PolarHBondContact O-N 3.08Å; C655-I657 VanDerWaalsContact O-N 3.11Å
656	V	24.1	Very low	27.1	Very low	134 Å²	134	120.6 Å²	120.6	81%	0.812	67%	0.668	S	S	*	*			trans	-73.7	96.2	170.5	177.6	0	0	0	0	105	E658	V656-E658 HydrophobicContact CG1-CG 4.43Å; V656-E658 PolarHBondContact O-N 3.43Å
657	I	25.5	Very low	27.3	Very low	124 Å²	124	120.3 Å²	120.3	64%	0.636	67%	0.672	S	S	*	*			trans	-82.4	101.3	168.4	-59.1	173.5	0	0	0	104.5	C655 N659	C655-I657 VanDerWaalsContact C-N 3.33Å; C655-I657 PolarHBondContact O-N 3.08Å; C655-I657 VanDerWaalsContact O-N 3.11Å; I657-N659 PolarHBondContact O-N 3.1Å
658	E	24.4	Very low	27.4	Very low	156 Å²	156	124.6 Å²	124.6	73%	0.729	69%	0.689	S	S	*	*			trans	-62.5	114.1	167.2	-81.4	173.2	159.7	0	0	107.7	V656 D660	V656-E658 HydrophobicContact CG1-CG 4.43Å; V656-E658 PolarHBondContact O-N 3.43Å; E658-D660 PolarHBondContact O-N 3.34Å
659	N	26.9	Very low	27.6	Very low	128 Å²	128	119.5 Å²	119.5	68%	0.684	68%	0.684	S	S	*	*			trans	-81.2	46.5	-175.4	-81.1	-19.1	0	0	0	112.3	I657 L661	I657-N659 PolarHBondContact O-N 3.1Å; N659-L661 PolarHBondContact O-N 3.49Å
660	D	26.8	Very low	27.7	Very low	117 Å²	117	123.3 Å²	123.3	63%	0.626	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	20.9	179.7	-69	-1.2	0	0	0	112.8	E658	E658-D660 PolarHBondContact O-N 3.34Å
661	L	29.9	Very low	27.9	Very low	98 Å²	98	125.2 Å²	125.2	51%	0.513	69%	0.693	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.5	-20.4	179.1	-77.5	169.2	0	0	0	113.5	N659 D663 L664	N659-L661 PolarHBondContact O-N 3.49Å; L661-D663 PolarHBondContact O-N 3.07Å; L661-L664 PolarHBondContact O-N 3.35Å
662	C	29.7	Very low	28	Very low	91 Å²	91	125.1 Å²	125.1	62%	0.615	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-64.1	-25.8	173.1	-75.7	0	0	0	0	112	L664 F665 T666	C662-L664 PolarHBondContact O-N 3.08Å; C662-L664 VanDerWaalsContact O-N 3.1Å; C662-F665 PolarHBondContact O-N 3.09Å; C662-F665 VanDerWaalsContact O-N 3.13Å; C662-T666 PolarHBondContact O-N 2.93Å; C662-T666 PolarHBondContact O-OG1 3.46Å; C662-T666 VanDerWaalsContact O-OG1 3.1Å
663	D	32.7	Very low	28.6	Very low	86 Å²	86	122.9 Å²	122.9	46%	0.46	69%	0.687	S	S	.	*	G	3₁₀ helix	trans	-66.5	-10.8	-179.4	-66.1	-9.5	0	0	0	114.2	L661 F665	L661-D663 PolarHBondContact O-N 3.07Å; D663-F665 PolarHBondContact O-N 2.99Å
664	L	32.7	Very low	28.6	Very low	66 Å²	66	125 Å²	125	35%	0.346	69%	0.691	S	S	.	*	G	3₁₀ helix	trans	-69.2	-20.8	173.8	-148.1	94.5	0	0	0	112.2	L661 C662	L661-L664 PolarHBondContact O-N 3.35Å; C662-L664 PolarHBondContact O-N 3.08Å; C662-L664 VanDerWaalsContact O-N 3.1Å
665	F	34.6	Very low	28.5	Very low	94 Å²	94	123.7 Å²	123.7	41%	0.412	69%	0.687	S	S	.	*	T	Hydrogen-bonded Turn	trans	-133.5	-7	-170	-55.8	-73.3	0	0	0	114.8	C662 D663 E718	C662-F665 PolarHBondContact O-N 3.09Å; C662-F665 VanDerWaalsContact O-N 3.13Å; D663-F665 PolarHBondContact O-N 2.99Å; F665-E718 HydrophobicContact CD1-CG 4.06Å; F665-E718 WeakPolarHBondContact CD1-OE1 3.41Å; F665-E718 VanDerWaalsContact CD2-CD 3.41Å; F665-E718 WeakPolarHBondContact CD2-OE1 3.28Å; F665-E718 HydrophobicContact CE1-CG 3.65Å; F665-E718 WeakPolarHBondContact CE1-OE1 3.4Å; F665-E718 HydrophobicContact CE2-CG 4.3Å; F665-E718 WeakPolarHBondContact CE2-OE1 3.36Å; F665-E718 WeakPolarHBondContact CE2-OE2 3.4Å; F665-E718 WeakPolarHBondContact CG-OE1 3.22Å; F665-E718 HydrophobicContact CZ-CG 3.76Å; F665-E718 WeakPolarHBondContact CZ-OE1 3.18Å; F665-E718 WeakPolarHBondContact CZ-OE2 3.4Å
666	T	28.7	Very low	28.7	Very low	84 Å²	84	125.5 Å²	125.5	52%	0.515	70%	0.695	S	S	.	*	S	Bend	trans	-99.6	121.4	171	47.5	0	0	0	0	111	C662 D668	C662-T666 PolarHBondContact O-N 2.93Å; C662-T666 PolarHBondContact O-OG1 3.46Å; C662-T666 VanDerWaalsContact O-OG1 3.1Å; T666-D668 PolarHBondContact O-N 3.14Å
667	T	28.8	Very low	28.7	Very low	137 Å²	137	123.9 Å²	123.9	84%	0.84	70%	0.696	S	S	*	*			trans	-60.4	128.2	171.4	49.6	0	0	0	0	110.4	A669	T667-A669 PolarHBondContact O-N 2.91Å
668	D	28	Very low	28.5	Very low	175 Å²	175	121.3 Å²	121.3	94%	0.936	70%	0.699	S	S	*	*			trans	-35.1	115.5	-175.2	-61.9	-55.2	0	0	0	114.6	T666	T666-D668 PolarHBondContact O-N 3.14Å
669	A	28.5	Very low	28.5	Very low	89 Å²	89	123.4 Å²	123.4	74%	0.736	71%	0.706	S	S	*	*			trans	-126.5	131.9	160.9	0	0	0	0	0	109.5	T667	T667-A669 PolarHBondContact O-N 2.91Å
670	E	30.2	Very low	28.3	Very low	194 Å²	194	123.6 Å²	123.6	91%	0.907	71%	0.712	S	S	*	*			trans	-59.7	128.6	-158.4	-60.6	174.8	152.3	0	0	115.3
671	N	28.6	Very low	28.1	Very low	157 Å²	157	122.1 Å²	122.1	84%	0.84	72%	0.716	S	S	*	*			trans	-83	121	171.7	-84.1	-43.6	0	0	0	111.4
672	V	27.4	Very low	27.7	Very low	127 Å²	127	124.2 Å²	124.2	77%	0.77	73%	0.733	S	S	*	*			trans	-120	128.7	163.3	-179.5	0	0	0	0	108.3
673	P	37.7	Very low	27.3	Very low	115 Å²	115	127 Å²	127	75%	0.747	74%	0.742	S	S	*	*			trans	-96.9	134.2	-167.2	35.1	-30.4	0	0	0	112.7
674	D	27.9	Very low	26.8	Very low	141 Å²	141	132.3 Å²	132.3	75%	0.754	76%	0.764	S	S	*	*			trans	-139.9	105.9	170.2	-93.4	-35.3	0	0	0	114.6
675	Q	23.7	Very low	26.3	Very low	173 Å²	173	136.6 Å²	136.6	81%	0.808	79%	0.786	S	S	*	*				42.9	102.6	125	-60.6	-176.7	63.1	0	0	122.1
676	V	25.9	Very low	25.7	Very low	150 Å²	150	139 Å²	139	91%	0.909	81%	0.807	S	S	*	*				27.1	109.3	120.5	-167.3	0	0	0	0	119.7
677	A	23.4	Very low	25.4	Very low	100 Å²	100	144 Å²	144	83%	0.826	82%	0.822	S	S	*	*			trans	-173	121	139.6	0	0	0	0	0	107.5
678	G	22.3	Very low	25.1	Very low	69 Å²	69	145.9 Å²	145.9	71%	0.711	82%	0.821	S	S	*	*			cis	94.3	92.5	48.6	0	0	0	0	0	109.5
679	K	24.3	Very low	24.8	Very low	200 Å²	200	145.4 Å²	145.4	87%	0.87	82%	0.819	S	S	*	*			trans	-172.1	102.7	156.4	-103.8	156.5	-170.1	-177.2	0	114.3
680	T	21.6	Very low	24.5	Very low	133 Å²	133	147.2 Å²	147.2	82%	0.816	82%	0.821	S	S	*	*			trans	43.1	113.8	132.4	50.3	0	0	0	0	121.4
681	A	22.5	Very low	24.2	Very low	85 Å²	85	145.9 Å²	145.9	70%	0.702	82%	0.818	S	S	*	*			trans	-69.7	148	164.2	0	0	0	0	0	113.8
682	T	22.4	Very low	24	Very low	143 Å²	143	146.7 Å²	146.7	88%	0.877	82%	0.817	S	S	*	*			trans	-128.8	108.8	158.1	44.5	0	0	0	0	108.2
683	N	22.1	Very low	23.9	Very low	148 Å²	148	145.6 Å²	145.6	79%	0.791	81%	0.81	S	S	*	*			trans	-79.3	126.3	175.7	-73	-25.7	0	0	0	109.8
684	E	21.5	Very low	23.4	Very low	199 Å²	199	148 Å²	148	93%	0.93	82%	0.817	S	S	*	*			trans	-121.7	125.3	156.1	-86.7	-169.5	157.4	0	0	110.2
685	I	21.8	Very low	23.4	Very low	156 Å²	156	146 Å²	146	80%	0.8	81%	0.813	S	S	*	*			trans	-88.2	118.6	-170.5	-65.4	161	0	0	0	107.8
686	V	22.7	Very low	23.7	Very low	143 Å²	143	144.4 Å²	144.4	87%	0.867	81%	0.805	S	S	*	*			trans	-126.2	129.4	163.7	-177	0	0	0	0	109.2
687	K	22	Very low	24	Very low	191 Å²	191	143.9 Å²	143.9	83%	0.83	80%	0.798	S	S	*	*			trans	-66.1	137	-157.8	-69.3	169.6	173.6	173.9	0	114.5
688	E	21.9	Very low	24.5	Very low	176 Å²	176	142.5 Å²	142.5	82%	0.822	78%	0.782	S	S	*	*			trans	-58.1	129	169.2	-66.8	165.9	141.5	0	0	112.1
689	N	22.4	Very low	25.1	Very low	164 Å²	164	142.9 Å²	142.9	88%	0.877	77%	0.77	S	S	*	*			trans	-113.9	105.5	154.6	-86.6	-14.6	0	0	0	107.6	I691	N689-I691 PolarHBondContact O-N 3.22Å
690	V	21.6	Very low	25.7	Very low	128 Å²	128	138.9 Å²	138.9	78%	0.776	76%	0.755	S	S	*	*			trans	-65.4	116.2	173.7	175.8	0	0	0	0	109
691	I	24.2	Very low	26.3	Very low	165 Å²	165	138.2 Å²	138.2	85%	0.846	74%	0.74	S	S	*	*			trans	-130.8	132.7	156.1	-61.1	-178.8	0	0	0	107.4	N689	N689-I691 PolarHBondContact O-N 3.22Å
692	E	23.9	Very low	27	Very low	175 Å²	175	139.5 Å²	139.5	82%	0.818	74%	0.735	S	S	*	*			trans	-62.8	142.3	-156.9	-69.2	162.7	139.5	0	0	115.7
693	T	25.3	Very low	27.7	Very low	104 Å²	104	137.1 Å²	137.1	64%	0.638	71%	0.714	S	S	*	*			trans	-52.6	124.9	168.3	47.6	0	0	0	0	112.9
694	N	27.9	Very low	28.6	Very low	166 Å²	166	137 Å²	137	89%	0.888	71%	0.706	S	S	*	*			trans	-163.9	20.7	149	-100.6	-14.4	0	0	0	116.1
695	C	28.2	Very low	29.4	Very low	99 Å²	99	130 Å²	130	67%	0.669	68%	0.679	S	S	*	*	S	Bend	trans	-137.2	20.8	180	-79.5	0	0	0	0	115.8	V699	C695-V699 WeakPolarHBondContact O-CG2 3.47Å
696	Q	30.8	Very low	30.4	Very low	139 Å²	139	123 Å²	123	65%	0.65	64%	0.644	S	S	*	*	H	α-helix	trans	-86	-31.8	-177.7	-92.6	157.4	-57.8	0	0	114.7	S698 V699 E700	Q696-S698 PolarHBondContact O-N 3.43Å; Q696-V699 PolarHBondContact O-N 2.96Å; Q696-E700 PolarHBondContact O-N 3.39Å
697	D	31.8	Very low	31.4	Very low	139 Å²	139	121.2 Å²	121.2	74%	0.743	63%	0.629	S	S	*	*	H	α-helix	trans	-70.9	-26.3	-174.6	-71	-15.6	0	0	0	114.5
698	S	33	Very low	32.4	Very low	71 Å²	71	116.7 Å²	116.7	50%	0.497	61%	0.614	S	S	.	*	H	α-helix	trans	-79.4	-29.5	177.4	55.2	0	0	0	0	112.7	Q696 N702	Q696-S698 PolarHBondContact O-N 3.43Å; S698-N702 PolarHBondContact O-N 3.31Å
699	V	34.3	Very low	33.4	Very low	76 Å²	76	109.6 Å²	109.6	46%	0.461	58%	0.582	S	S	.	*	H	α-helix	trans	-76.6	-41.3	-178.4	-179.6	0	0	0	0	111	C695 Q696 K701 N702 Q703	C695-V699 WeakPolarHBondContact O-CG2 3.47Å; Q696-V699 PolarHBondContact O-N 2.96Å; V699-K701 PolarHBondContact O-N 2.93Å; V699-N702 PolarHBondContact O-N 3.5Å; V699-Q703 WeakPolarHBondContact O-CG 3.45Å; V699-Q703 PolarHBondContact O-N 3.37Å; V699-Q703 VanDerWaalsContact O-N 3.07Å
700	E	37.3	Very low	34.5	Very low	117 Å²	117	103.8 Å²	103.8	55%	0.547	55%	0.55	S	S	.	*	H	α-helix	trans	-65.2	-35.8	178.2	-78.7	-166.6	170.8	0	0	113.2	Q696 K704	Q696-E700 PolarHBondContact O-N 3.39Å; E700-K704 PolarHBondContact O-N 2.57Å
701	K	35.6	Very low	35.6	Very low	119 Å²	119	102.8 Å²	102.8	52%	0.517	54%	0.536	S	S	.	.	H	α-helix	trans	-68.3	-40.2	177.1	-85.4	-176.3	177.2	177.6	0	112.3	V699 K704 S705	V699-K701 PolarHBondContact O-N 2.93Å; K701-K704 PolarHBondContact O-N 2.95Å; K701-S705 PolarHBondContact O-N 3.2Å; K701-S705 PolarHBondContact O-OG 3.22Å
702	N	36	Very low	36.4	Very low	112 Å²	112	97.9 Å²	97.9	60%	0.599	52%	0.516	S	S	*	.	H	α-helix	trans	-69.3	-32.5	177.1	-76	-11.4	0	0	0	112.7	S698 V699 S705 S706	S698-N702 PolarHBondContact O-N 3.31Å; V699-N702 PolarHBondContact O-N 3.5Å; N702-S705 PolarHBondContact O-OG 3.34Å; N702-S706 PolarHBondContact O-N 3.25Å; N702-S706 VanDerWaalsContact O-N 3.15Å
703	Q	38.2	Very low	37.5	Very low	92 Å²	92	90.9 Å²	90.9	43%	0.43	48%	0.484	S	S	.	.	H	α-helix	trans	-66.2	-39.9	173.8	-75.5	177.2	-8.3	0	0	112.4	V699 S706 L707	V699-Q703 WeakPolarHBondContact O-CG 3.45Å; V699-Q703 PolarHBondContact O-N 3.37Å; V699-Q703 VanDerWaalsContact O-N 3.07Å; Q703-S706 PolarHBondContact O-OG 2.94Å; Q703-L707 WeakPolarHBondContact O-CG 3.2Å; Q703-L707 PolarHBondContact O-N 2.87Å; Q703-L707 VanDerWaalsContact O-N 3.16Å
704	K	39.9	Very low	38.5	Very low	145 Å²	145	90.9 Å²	90.9	63%	0.63	48%	0.48	S	S	*	.	H	α-helix	trans	-67.5	-39.7	179	-76	178.4	-179.1	169.8	0	112.6	E700 K701 L708	E700-K704 PolarHBondContact O-N 2.57Å; K701-K704 PolarHBondContact O-N 2.95Å; K704-L708 PolarHBondContact O-N 3.37Å
705	S	37.7	Very low	39.2	Very low	52 Å²	52	84.8 Å²	84.8	36%	0.364	45%	0.451	S	S	.	.	H	α-helix	trans	-69.3	-38.7	177.2	49.7	0	0	0	0	112.2	K701 N702 L708 I709	K701-S705 PolarHBondContact O-N 3.2Å; K701-S705 PolarHBondContact O-OG 3.22Å; N702-S705 PolarHBondContact O-OG 3.34Å; S705-L708 PolarHBondContact O-N 3.06Å; S705-I709 WeakPolarHBondContact O-CG1 3.33Å; S705-I709 PolarHBondContact O-N 3.2Å; S705-I709 VanDerWaalsContact O-N 3.11Å
706	S	43.7	Very low	39.8	Very low	9 Å²	9	83.5 Å²	83.5	6%	0.063	44%	0.437	C	S	.	.	H	α-helix	trans	-64.6	-44.4	177.2	97	0	0	0	0	112	L640 N702 Q703 L708 I709 D710	L640-S706 WeakPolarHBondContact O-CB 3.48Å; N702-S706 PolarHBondContact O-N 3.25Å; N702-S706 VanDerWaalsContact O-N 3.15Å; Q703-S706 PolarHBondContact O-OG 2.94Å; S706-L708 PolarHBondContact O-N 3.39Å; S706-I709 PolarHBondContact O-N 2.86Å; S706-D710 PolarHBondContact O-N 3.36Å
707	L	43.6	Very low	40.5	Very low	106 Å²	106	80.8 Å²	80.8	56%	0.555	42%	0.423	S	S	*	.	H	α-helix	trans	-60.4	-34.8	177.5	-75.3	169.5	0	0	0	112.5	Q703 F711	Q703-L707 WeakPolarHBondContact O-CG 3.2Å; Q703-L707 PolarHBondContact O-N 2.87Å; Q703-L707 VanDerWaalsContact O-N 3.16Å; L707-F711 VanDerWaalsContact O-CB 3.29Å; L707-F711 WeakPolarHBondContact O-CB 3.29Å; L707-F711 PolarHBondContact O-N 3.33Å
708	L	42.4	Very low	41.1	Very low	97 Å²	97	76.8 Å²	76.8	51%	0.508	40%	0.4	S	S	.	.	H	α-helix	trans	-73.2	-36.2	179.9	-143.2	133.6	0	0	0	111.7	K704 S705 S706 S712	K704-L708 PolarHBondContact O-N 3.37Å; S705-L708 PolarHBondContact O-N 3.06Å; S706-L708 PolarHBondContact O-N 3.39Å; L708-S712 WeakPolarHBondContact O-CB 3.48Å; L708-S712 PolarHBondContact O-N 3.47Å; L708-S712 PolarHBondContact O-OG 3.43Å
709	I	43.6	Very low	41.3	Very low	27 Å²	27	77.9 Å²	77.9	14%	0.138	40%	0.398	C	S	.	.	H	α-helix	trans	-64.4	-50	171	-67.8	168.5	0	0	0	109.5	L637 L640 S705 S706 F711 S712 L713	L637-I709 HydrophobicContact CD2-CD1 3.86Å; L637-I709 HydrophobicContact CD2-CG1 3.95Å; L637-I709 HydrophobicContact CD2-CG2 3.81Å; L637-I709 HydrophobicContact CG-CD1 4.36Å; L640-I709 HydrophobicContact CB-CD1 4.12Å; L640-I709 HydrophobicContact CD1-CD1 4.4Å; S705-I709 WeakPolarHBondContact O-CG1 3.33Å; S705-I709 PolarHBondContact O-N 3.2Å; S705-I709 VanDerWaalsContact O-N 3.11Å; S706-I709 PolarHBondContact O-N 2.86Å; I709-F711 VanDerWaalsContact C-N 3.32Å; I709-F711 PolarHBondContact O-N 3.21Å; I709-S712 PolarHBondContact O-N 2.88Å; I709-S712 VanDerWaalsContact O-N 3.14Å; I709-L713 HydrophobicContact CG2-CD1 3.74Å; I709-L713 HydrophobicContact CG2-CG 4.25Å; I709-L713 WeakPolarHBondContact O-CB 3.09Å; I709-L713 WeakPolarHBondContact O-CG 3.41Å; I709-L713 PolarHBondContact O-N 2.83Å
710	D	45.5	Very low	41.6	Very low	42 Å²	42	75.8 Å²	75.8	23%	0.225	39%	0.386	C	S	.	.	H	α-helix	trans	-58	-44.1	178.6	-69.7	-21	0	0	0	111.6	S641 S706 L713 N714	S641-D710 WeakPolarHBondContact CB-OD1 3.44Å; S706-D710 PolarHBondContact O-N 3.36Å; D710-L713 PolarHBondContact O-N 3.19Å; D710-N714 WeakPolarHBondContact O-CB 3.35Å; D710-N714 VanDerWaalsContact O-CG 3.25Å; D710-N714 PolarHBondContact O-N 2.91Å; D710-N714 PolarHBondContact O-ND2 3.31Å
711	F	44	Very low	42	Very low	107 Å²	107	76.6 Å²	76.6	47%	0.469	39%	0.389	S	S	.	.	H	α-helix	trans	-62.9	-42.9	176.4	-176.3	-93.9	0	0	0	112.5	L707 I709 N714 S715	L707-F711 VanDerWaalsContact O-CB 3.29Å; L707-F711 WeakPolarHBondContact O-CB 3.29Å; L707-F711 PolarHBondContact O-N 3.33Å; I709-F711 VanDerWaalsContact C-N 3.32Å; I709-F711 PolarHBondContact O-N 3.21Å; F711-N714 PolarHBondContact O-N 3.07Å; F711-S715 WeakPolarHBondContact O-CB 3.39Å; F711-S715 PolarHBondContact O-N 3.04Å; F711-S715 PolarHBondContact O-OG 3.31Å
712	S	42.3	Very low	42.2	Very low	62 Å²	62	75.4 Å²	75.4	43%	0.434	39%	0.389	S	S	.	.	H	α-helix	trans	-67.4	-40.6	179.5	-57	0	0	0	0	111.4	L708 I709 S715 L716	L708-S712 WeakPolarHBondContact O-CB 3.48Å; L708-S712 PolarHBondContact O-N 3.47Å; L708-S712 PolarHBondContact O-OG 3.43Å; I709-S712 PolarHBondContact O-N 2.88Å; I709-S712 VanDerWaalsContact O-N 3.14Å; S712-S715 PolarHBondContact O-N 2.66Å; S712-L716 WeakPolarHBondContact O-CB 3.45Å; S712-L716 PolarHBondContact O-N 3.43Å
713	L	46.2	Very low	42.3	Very low	27 Å²	27	70.9 Å²	70.9	14%	0.141	36%	0.364	C	S	.	.	H	α-helix	trans	-66.5	-43.1	176.3	-70.5	173.9	0	0	0	111.7	L627 V630 I709 D710 L716 K717	L627-L713 HydrophobicContact CD2-CB 3.97Å; L627-L713 HydrophobicContact CD2-CD2 3.76Å; L627-L713 HydrophobicContact CD2-CG 4.38Å; V630-L713 HydrophobicContact CG1-CD2 3.99Å; I709-L713 HydrophobicContact CG2-CD1 3.74Å; I709-L713 HydrophobicContact CG2-CG 4.25Å; I709-L713 WeakPolarHBondContact O-CB 3.09Å; I709-L713 WeakPolarHBondContact O-CG 3.41Å; I709-L713 PolarHBondContact O-N 2.83Å; D710-L713 PolarHBondContact O-N 3.19Å; L713-L716 WeakPolarHBondContact O-CB 3.17Å; L713-L716 PolarHBondContact O-N 3.15Å; L713-K717 WeakPolarHBondContact O-CB 3.42Å; L713-K717 PolarHBondContact O-N 3.26Å
714	N	46.2	Very low	42.5	Very low	104 Å²	104	68.9 Å²	68.9	56%	0.556	36%	0.361	S	S	*	.	H	α-helix	trans	-62.8	-42.8	174.4	-74.1	-25.7	0	0	0	111.7	D710 F711 L716 K717 E718	D710-N714 WeakPolarHBondContact O-CB 3.35Å; D710-N714 VanDerWaalsContact O-CG 3.25Å; D710-N714 PolarHBondContact O-N 2.91Å; D710-N714 PolarHBondContact O-ND2 3.31Å; F711-N714 PolarHBondContact O-N 3.07Å; N714-L716 VanDerWaalsContact C-N 3.31Å; N714-L716 PolarHBondContact O-N 2.67Å; N714-K717 WeakPolarHBondContact O-CB 3.49Å; N714-K717 PolarHBondContact O-N 2.93Å; N714-E718 WeakPolarHBondContact O-CB 3.23Å; N714-E718 PolarHBondContact O-N 2.98Å
715	S	42.1	Very low	42.7	Very low	39 Å²	39	66.3 Å²	66.3	27%	0.273	35%	0.35	S	S	.	.	H	α-helix	trans	-60.5	-42	174.7	-58.6	0	0	0	0	111.3	F711 S712 M719	F711-S715 WeakPolarHBondContact O-CB 3.39Å; F711-S715 PolarHBondContact O-N 3.04Å; F711-S715 PolarHBondContact O-OG 3.31Å; S712-S715 PolarHBondContact O-N 2.66Å; S715-M719 WeakPolarHBondContact O-CB 3.35Å; S715-M719 VanDerWaalsContact O-CG 3.24Å; S715-M719 WeakPolarHBondContact O-CG 3.23Å; S715-M719 PolarHBondContact O-N 3.49Å
716	L	42.1	Very low	42.9	Very low	72 Å²	72	69.5 Å²	69.5	38%	0.377	35%	0.354	S	S	.	.	H	α-helix	trans	-64.1	-44.6	177.4	-152.2	94.7	0	0	0	111	P626 V630 S712 L713 N714 E718 M719 T720	P626-L716 HydrophobicContact CB-CD2 4.43Å; V630-L716 HydrophobicContact CG2-CD2 4.23Å; S712-L716 WeakPolarHBondContact O-CB 3.45Å; S712-L716 PolarHBondContact O-N 3.43Å; L713-L716 WeakPolarHBondContact O-CB 3.17Å; L713-L716 PolarHBondContact O-N 3.15Å; N714-L716 VanDerWaalsContact C-N 3.31Å; N714-L716 PolarHBondContact O-N 2.67Å; L716-E718 PolarHBondContact O-N 2.76Å; L716-M719 PolarHBondContact O-N 2.91Å; L716-T720 WeakPolarHBondContact O-CB 3.4Å; L716-T720 WeakPolarHBondContact O-CG2 3.2Å; L716-T720 PolarHBondContact O-N 2.86Å; L716-T720 PolarHBondContact O-OG1 3.46Å; L716-T720 VanDerWaalsContact O-OG1 3.07Å
717	K	45	Very low	43	Very low	81 Å²	81	71 Å²	71	35%	0.352	36%	0.361	S	S	.	.	H	α-helix	trans	-57.3	-50.3	177.5	-168.6	-172.6	179.5	-164.5	0	111.3	L627 L713 N714 M719 T720 E721	L627-K717 HydrophobicContact CD1-CB 3.85Å; L627-K717 HydrophobicContact CD1-CD 3.79Å; L627-K717 HydrophobicContact CD1-CG 3.68Å; L627-K717 HydrophobicContact CG-CB 4.45Å; L713-K717 WeakPolarHBondContact O-CB 3.42Å; L713-K717 PolarHBondContact O-N 3.26Å; N714-K717 WeakPolarHBondContact O-CB 3.49Å; N714-K717 PolarHBondContact O-N 2.93Å; K717-M719 PolarHBondContact O-N 3.48Å; K717-T720 WeakPolarHBondContact CA-OG1 3.26Å; K717-T720 CarbonylContact O-C 3.57Å; K717-T720 WeakPolarHBondContact O-CA 3.33Å; K717-T720 PolarHBondContact O-N 3.32Å; K717-T720 PolarHBondContact O-OG1 2.81Å; K717-E721 VanDerWaalsContact CE-OE1 3.22Å; K717-E721 WeakPolarHBondContact CE-OE1 3.01Å; K717-E721 IonicContact NZ-OE1 3.76Å; K717-E721 WeakPolarHBondContact O-CG 3.02Å; K717-E721 PolarHBondContact O-N 3.42Å
718	E	43.7	Very low	43.1	Very low	55 Å²	55	68.6 Å²	68.6	26%	0.257	35%	0.348	S	S	.	.	H	α-helix	trans	-66.6	-37.4	-179.8	-176.3	161.3	-141	0	0	112.6	F665 N714 L716 T720 E721 N722	F665-E718 HydrophobicContact CD1-CG 4.06Å; F665-E718 WeakPolarHBondContact CD1-OE1 3.41Å; F665-E718 VanDerWaalsContact CD2-CD 3.41Å; F665-E718 WeakPolarHBondContact CD2-OE1 3.28Å; F665-E718 HydrophobicContact CE1-CG 3.65Å; F665-E718 WeakPolarHBondContact CE1-OE1 3.4Å; F665-E718 HydrophobicContact CE2-CG 4.3Å; F665-E718 WeakPolarHBondContact CE2-OE1 3.36Å; F665-E718 WeakPolarHBondContact CE2-OE2 3.4Å; F665-E718 WeakPolarHBondContact CG-OE1 3.22Å; F665-E718 HydrophobicContact CZ-CG 3.76Å; F665-E718 WeakPolarHBondContact CZ-OE1 3.18Å; F665-E718 WeakPolarHBondContact CZ-OE2 3.4Å; N714-E718 WeakPolarHBondContact O-CB 3.23Å; N714-E718 PolarHBondContact O-N 2.98Å; L716-E718 PolarHBondContact O-N 2.76Å; E718-T720 PolarHBondContact O-N 3.42Å; E718-E721 PolarHBondContact O-N 3.43Å; E718-N722 WeakPolarHBondContact O-CB 3.46Å; E718-N722 PolarHBondContact O-N 3.03Å; E718-N722 VanDerWaalsContact O-N 3.12Å; E718-N722 PolarHBondContact O-ND2 3.26Å
719	M	37.1	Very low	43.1	Very low	94 Å²	94	65.1 Å²	65.1	46%	0.463	33%	0.332	S	S	.	.	H	α-helix	trans	-60.5	-37	169.5	-75.3	-178	106.9	0	0	111.2	S715 L716 K717 L723	S715-M719 WeakPolarHBondContact O-CB 3.35Å; S715-M719 VanDerWaalsContact O-CG 3.24Å; S715-M719 WeakPolarHBondContact O-CG 3.23Å; S715-M719 PolarHBondContact O-N 3.49Å; L716-M719 PolarHBondContact O-N 2.91Å; K717-M719 PolarHBondContact O-N 3.48Å; M719-L723 WeakPolarHBondContact O-CA 3.37Å; M719-L723 WeakPolarHBondContact O-CB 3.21Å; M719-L723 WeakPolarHBondContact O-CG 3.4Å; M719-L723 PolarHBondContact O-N 3.02Å
720	T	41.9	Very low	43.1	Very low	33 Å²	33	70.1 Å²	70.1	20%	0.202	36%	0.355	C	S	.	.	H	α-helix	trans	-82.7	-22.2	-177.5	56.7	0	0	0	0	113.9	P626 L716 K717 E718 L723	P626-T720 HydrophobicContact CB-CG2 4.09Å; P626-T720 HydrophobicContact CG-CG2 3.19Å; L716-T720 WeakPolarHBondContact O-CB 3.4Å; L716-T720 WeakPolarHBondContact O-CG2 3.2Å; L716-T720 PolarHBondContact O-N 2.86Å; L716-T720 PolarHBondContact O-OG1 3.46Å; L716-T720 VanDerWaalsContact O-OG1 3.07Å; K717-T720 WeakPolarHBondContact CA-OG1 3.26Å; K717-T720 CarbonylContact O-C 3.57Å; K717-T720 WeakPolarHBondContact O-CA 3.33Å; K717-T720 PolarHBondContact O-N 3.32Å; K717-T720 PolarHBondContact O-OG1 2.81Å; E718-T720 PolarHBondContact O-N 3.42Å; T720-L723 CarbonylContact C-O 3.6Å; T720-L723 WeakPolarHBondContact CA-O 3.25Å; T720-L723 VanDerWaalsContact O-O 3.11Å
721	E	44.5	Very low	43.1	Very low	133 Å²	133	69 Å²	69	62%	0.621	35%	0.351	S	S	*	.	H	α-helix	trans	-72.2	-36.5	168.6	-73.4	176	-177.5	0	0	111.1	K717 E718	K717-E721 VanDerWaalsContact CE-OE1 3.22Å; K717-E721 WeakPolarHBondContact CE-OE1 3.01Å; K717-E721 IonicContact NZ-OE1 3.76Å; K717-E721 WeakPolarHBondContact O-CG 3.02Å; K717-E721 PolarHBondContact O-N 3.42Å; E718-E721 PolarHBondContact O-N 3.43Å
722	N	40.2	Very low	43.2	Very low	94 Å²	94	65.1 Å²	65.1	50%	0.503	34%	0.34	S	S	.	.	H	α-helix	trans	-94.5	-17.6	-177.4	-67	-50.9	0	0	0	114.5	E718	E718-N722 WeakPolarHBondContact O-CB 3.46Å; E718-N722 PolarHBondContact O-N 3.03Å; E718-N722 VanDerWaalsContact O-N 3.12Å; E718-N722 PolarHBondContact O-ND2 3.26Å
723	L	38.1	Very low	43.1	Very low	17 Å²	17	63.6 Å²	63.6	9%	0.089	33%	0.328	C	S	.	.	S	Bend	trans	-137.2	137.9	-175.6	-52.6	166.2	0	0	0	109.6	M719 T720 F725 I728 K882	M719-L723 WeakPolarHBondContact O-CA 3.37Å; M719-L723 WeakPolarHBondContact O-CB 3.21Å; M719-L723 WeakPolarHBondContact O-CG 3.4Å; M719-L723 PolarHBondContact O-N 3.02Å; T720-L723 CarbonylContact C-O 3.6Å; T720-L723 WeakPolarHBondContact CA-O 3.25Å; T720-L723 VanDerWaalsContact O-O 3.11Å; L723-F725 PolarHBondContact O-N 3.29Å; L723-I728 HydrophobicContact CB-CD1 4.16Å; L723-I728 HydrophobicContact CB-CG1 4.22Å; L723-I728 HydrophobicContact CD1-CD1 4.18Å; L723-I728 HydrophobicContact CD1-CG1 4.24Å; L723-K882 HydrophobicContact CD2-CB 3.35Å; L723-K882 HydrophobicContact CD2-CD 3.87Å; L723-K882 HydrophobicContact CD2-CG 3.44Å; L723-K882 VanDerWaalsContact CD2-CG 3.44Å
724	S	43.4	Very low	42.9	Very low	51 Å²	51	65.7 Å²	65.7	36%	0.357	34%	0.342	S	S	.	.			trans	-70	138.1	169.8	81.2	0	0	0	0	109.2	W726 D727 I728	S724-W726 PolarHBondContact O-N 2.86Å; S724-D727 WeakPolarHBondContact CB-OD2 3.31Å; S724-D727 PolarHBondContact N-OD2 3.2Å; S724-D727 WeakPolarHBondContact O-CB 3.38Å; S724-D727 PolarHBondContact O-N 3.27Å; S724-D727 PolarHBondContact OG-N 2.93Å; S724-D727 PolarHBondContact OG-OD2 2.83Å; S724-I728 PolarHBondContact O-N 3.49Å
725	F	42.9	Very low	42.8	Very low	90 Å²	90	66.5 Å²	66.5	40%	0.395	34%	0.337	S	S	.	.	H	α-helix	trans	-48.8	-35	173.8	178.1	-100.9	0	0	0	112.1	L723 I728 C729	L723-F725 PolarHBondContact O-N 3.29Å; F725-I728 PolarHBondContact O-N 3.23Å; F725-C729 WeakPolarHBondContact CE1-SG 3.07Å; F725-C729 VanDerWaalsContact CZ-SG 3.52Å; F725-C729 PolarHBondContact O-N 3.47Å; F725-C729 PolarHBondContact O-SG 3.48Å
726	W	43.2	Very low	42.7	Very low	119 Å²	119	67.3 Å²	67.3	45%	0.451	35%	0.346	S	S	.	.	H	α-helix	trans	-58.4	-44.3	174.8	-72.5	104.4	0	0	0	114	S724 I728 C729 Q730 I814	S724-W726 PolarHBondContact O-N 2.86Å; W726-I728 VanDerWaalsContact C-N 3.32Å; W726-I728 PolarHBondContact O-N 2.93Å; W726-C729 PolarHBondContact O-N 2.81Å; W726-Q730 VanDerWaalsContact O-CB 3.31Å; W726-Q730 WeakPolarHBondContact O-CB 3.1Å; W726-Q730 PolarHBondContact O-N 3.49Å; W726-I814 HydrophobicContact CE3-CD1 4.4Å; W726-I814 HydrophobicContact CH2-CD1 3.16Å; W726-I814 HydrophobicContact CH2-CG1 4.31Å; W726-I814 HydrophobicContact CZ2-CD1 4.29Å; W726-I814 HydrophobicContact CZ3-CD1 3.23Å; W726-I814 HydrophobicContact CZ3-CG1 4.04Å
727	D	45.8	Very low	42.3	Very low	41 Å²	41	66.2 Å²	66.2	22%	0.219	34%	0.344	C	S	.	.	H	α-helix	trans	-63.3	-41.5	179.7	-62.4	-59.8	0	0	0	111.1	S724 S731 K882	S724-D727 WeakPolarHBondContact CB-OD2 3.31Å; S724-D727 PolarHBondContact N-OD2 3.2Å; S724-D727 WeakPolarHBondContact O-CB 3.38Å; S724-D727 PolarHBondContact O-N 3.27Å; S724-D727 PolarHBondContact OG-N 2.93Å; S724-D727 PolarHBondContact OG-OD2 2.83Å; D727-S731 WeakPolarHBondContact O-CB 3.34Å; D727-S731 PolarHBondContact O-N 3.44Å; D727-K882 WeakPolarHBondContact OD1-CE 3.18Å; D727-K882 IonicContact OD1-NZ 3.71Å; D727-K882 PolarHBondContact OD1-NZ 2.91Å; D727-K882 VanDerWaalsContact OD2-CE 3.29Å; D727-K882 WeakPolarHBondContact OD2-CE 2.91Å; D727-K882 IonicContact OD2-NZ 3.67Å; D727-K882 PolarHBondContact OD2-NZ 3.44Å
728	I	44.5	Very low	41.8	Very low	56 Å²	56	67 Å²	67	29%	0.287	35%	0.352	S	S	.	.	H	α-helix	trans	-64.7	-47.4	178.8	-58.9	175.6	0	0	0	110.1	L723 S724 F725 W726 G732	L723-I728 HydrophobicContact CB-CD1 4.16Å; L723-I728 HydrophobicContact CB-CG1 4.22Å; L723-I728 HydrophobicContact CD1-CD1 4.18Å; L723-I728 HydrophobicContact CD1-CG1 4.24Å; S724-I728 PolarHBondContact O-N 3.49Å; F725-I728 PolarHBondContact O-N 3.23Å; W726-I728 VanDerWaalsContact C-N 3.32Å; W726-I728 PolarHBondContact O-N 2.93Å; I728-G732 PolarHBondContact O-N 3.27Å
729	C	42.4	Very low	41.4	Very low	24 Å²	24	68.8 Å²	68.8	16%	0.162	36%	0.363	C	S	.	.	H	α-helix	trans	-64.2	-46.3	178.8	-73.3	0	0	0	0	112.3	F725 W726 S731 G732 V733	F725-C729 WeakPolarHBondContact CE1-SG 3.07Å; F725-C729 VanDerWaalsContact CZ-SG 3.52Å; F725-C729 PolarHBondContact O-N 3.47Å; F725-C729 PolarHBondContact O-SG 3.48Å; W726-C729 PolarHBondContact O-N 2.81Å; C729-S731 PolarHBondContact O-N 2.87Å; C729-G732 WeakPolarHBondContact O-CA 3.42Å; C729-G732 PolarHBondContact O-N 3.31Å; C729-G732 VanDerWaalsContact O-N 3.13Å; C729-V733 WeakPolarHBondContact O-CG2 3.44Å; C729-V733 PolarHBondContact O-N 3.03Å
730	Q	44.8	Very low	41.3	Very low	131 Å²	131	67.3 Å²	67.3	61%	0.612	36%	0.362	S	S	*	.	H	α-helix	trans	-61.7	-45	179.4	-175.9	178.6	-5.2	0	0	111.5	W726 G732 V733 T734	W726-Q730 VanDerWaalsContact O-CB 3.31Å; W726-Q730 WeakPolarHBondContact O-CB 3.1Å; W726-Q730 PolarHBondContact O-N 3.49Å; Q730-G732 VanDerWaalsContact C-N 3.31Å; Q730-G732 PolarHBondContact O-N 2.96Å; Q730-V733 PolarHBondContact O-N 3.35Å; Q730-T734 WeakPolarHBondContact O-CB 3.23Å; Q730-T734 PolarHBondContact O-N 3.47Å; Q730-T734 PolarHBondContact O-OG1 3.25Å
731	S	45	Very low	40.8	Very low	20 Å²	20	69.6 Å²	69.6	14%	0.14	38%	0.376	C	S	.	.	H	α-helix	trans	-61	-40.5	173.6	175.5	0	0	0	0	111.2	D727 C729 R735 C886	D727-S731 WeakPolarHBondContact O-CB 3.34Å; D727-S731 PolarHBondContact O-N 3.44Å; C729-S731 PolarHBondContact O-N 2.87Å; S731-R735 WeakPolarHBondContact O-CB 3.37Å; S731-R735 WeakPolarHBondContact O-CG 3.34Å; S731-R735 PolarHBondContact O-N 2.89Å; S731-R735 VanDerWaalsContact O-N 3.12Å; S731-R735 PolarHBondContact O-NE 3.13Å; S731-R735 PolarHBondContact OG-NE 3.27Å; S731-C886 PolarHBondContact OG-O 3.08Å
732	G	45.1	Very low	40.1	Very low	24 Å²	24	65.7 Å²	65.7	25%	0.247	36%	0.361	C	S	.	.	H	α-helix	trans	-57.2	-51.6	172.8	0	0	0	0	0	114	I728 C729 Q730 R735 A736	I728-G732 PolarHBondContact O-N 3.27Å; C729-G732 WeakPolarHBondContact O-CA 3.42Å; C729-G732 PolarHBondContact O-N 3.31Å; C729-G732 VanDerWaalsContact O-N 3.13Å; Q730-G732 VanDerWaalsContact C-N 3.31Å; Q730-G732 PolarHBondContact O-N 2.96Å; G732-R735 WeakPolarHBondContact O-CB 3.42Å; G732-R735 PolarHBondContact O-N 3.47Å; G732-A736 PolarHBondContact O-N 2.95Å
733	V	41.3	Very low	39.7	Very low	31 Å²	31	65.2 Å²	65.2	19%	0.188	36%	0.359	C	S	.	.	H	α-helix	trans	-63.3	-44.1	-179.2	174.4	0	0	0	0	111.5	C729 Q730 R735 A736 S737 W813 L817	C729-V733 WeakPolarHBondContact O-CG2 3.44Å; C729-V733 PolarHBondContact O-N 3.03Å; Q730-V733 PolarHBondContact O-N 3.35Å; V733-R735 PolarHBondContact O-N 3.46Å; V733-A736 PolarHBondContact O-N 3.12Å; V733-S737 PolarHBondContact O-N 3.13Å; V733-S737 VanDerWaalsContact O-N 3.15Å; V733-W813 HydrophobicContact CG1-CD2 4.45Å; V733-L817 HydrophobicContact CG2-CD1 3.54Å
734	T	40.6	Very low	39.3	Very low	70 Å²	70	67.3 Å²	67.3	43%	0.429	38%	0.375	S	S	.	.	H	α-helix	trans	-62.8	-33.2	178.6	-45.3	0	0	0	0	111.4	Q730 S737 L738	Q730-T734 WeakPolarHBondContact O-CB 3.23Å; Q730-T734 PolarHBondContact O-N 3.47Å; Q730-T734 PolarHBondContact O-OG1 3.25Å; T734-S737 PolarHBondContact O-OG 3.38Å; T734-L738 PolarHBondContact O-N 3.26Å
735	R	44.6	Very low	38.6	Very low	122 Å²	122	69.1 Å²	69.1	46%	0.46	38%	0.379	S	S	.	.	H	α-helix	trans	-72	-42.3	174.5	-74.3	177.9	-68.5	159.5	-4.9	113	S731 G732 V733 S737 L738 L739	S731-R735 WeakPolarHBondContact O-CB 3.37Å; S731-R735 WeakPolarHBondContact O-CG 3.34Å; S731-R735 PolarHBondContact O-N 2.89Å; S731-R735 VanDerWaalsContact O-N 3.12Å; S731-R735 PolarHBondContact O-NE 3.13Å; S731-R735 PolarHBondContact OG-NE 3.27Å; G732-R735 WeakPolarHBondContact O-CB 3.42Å; G732-R735 PolarHBondContact O-N 3.47Å; V733-R735 PolarHBondContact O-N 3.46Å; R735-S737 VanDerWaalsContact C-N 3.28Å; R735-S737 PolarHBondContact O-N 3.5Å; R735-L738 PolarHBondContact O-N 3.47Å; R735-L739 WeakPolarHBondContact O-CB 3.37Å; R735-L739 PolarHBondContact O-N 3.45Å
736	A	39.5	Very low	38	Very low	56 Å²	56	67.6 Å²	67.6	46%	0.463	38%	0.38	S	S	.	.	H	α-helix	trans	-60.7	-39.2	178.1	0	0	0	0	0	111.7	G732 V733 S740	G732-A736 PolarHBondContact O-N 2.95Å; V733-A736 PolarHBondContact O-N 3.12Å; A736-S740 PolarHBondContact O-N 3Å
737	S	34.1	Very low	37.5	Very low	48 Å²	48	67.5 Å²	67.5	34%	0.336	38%	0.384	S	S	.	.	H	α-helix	trans	-67.9	-44.2	175.5	66.2	0	0	0	0	112.1	V733 T734 R735 L739 S740 V741	V733-S737 PolarHBondContact O-N 3.13Å; V733-S737 VanDerWaalsContact O-N 3.15Å; T734-S737 PolarHBondContact O-OG 3.38Å; R735-S737 VanDerWaalsContact C-N 3.28Å; R735-S737 PolarHBondContact O-N 3.5Å; S737-L739 PolarHBondContact O-N 3.22Å; S737-S740 PolarHBondContact O-N 3.14Å; S737-S740 PolarHBondContact O-OG 3.4Å; S737-V741 PolarHBondContact O-N 3.47Å
738	L	34.1	Very low	36.8	Very low	99 Å²	99	70 Å²	70	52%	0.518	40%	0.397	S	S	.	.	H	α-helix	trans	-60	-42.7	174.5	-100.7	148.9	0	0	0	112.6	T734 R735 S740 V741 T742	T734-L738 PolarHBondContact O-N 3.26Å; R735-L738 PolarHBondContact O-N 3.47Å; L738-S740 VanDerWaalsContact C-N 3.33Å; L738-S740 PolarHBondContact O-N 2.95Å; L738-V741 WeakPolarHBondContact O-CB 3.25Å; L738-V741 PolarHBondContact O-N 2.91Å; L738-V741 VanDerWaalsContact O-N 3.12Å; L738-T742 PolarHBondContact O-N 2.79Å; L738-T742 PolarHBondContact O-OG1 2.79Å; L738-T742 VanDerWaalsContact O-OG1 3.04Å
739	L	35.3	Very low	36.3	Very low	91 Å²	91	72.4 Å²	72.4	48%	0.476	41%	0.409	S	S	.	.	H	α-helix	trans	-62.1	-42.3	179.7	-157.9	76.5	0	0	0	111.1	R735 S737 V741 T742 D743	R735-L739 WeakPolarHBondContact O-CB 3.37Å; R735-L739 PolarHBondContact O-N 3.45Å; S737-L739 PolarHBondContact O-N 3.22Å; L739-V741 PolarHBondContact O-N 3.37Å; L739-T742 VanDerWaalsContact CA-OG1 3.26Å; L739-T742 WeakPolarHBondContact CA-OG1 3.16Å; L739-T742 PolarHBondContact O-N 2.82Å; L739-T742 PolarHBondContact O-OG1 2.9Å; L739-D743 WeakPolarHBondContact O-CB 3.46Å; L739-D743 PolarHBondContact O-N 3.42Å
740	S	36.7	Very low	35.8	Very low	64 Å²	64	75.9 Å²	75.9	45%	0.448	43%	0.426	S	S	.	.	H	α-helix	trans	-59.1	-35.5	175.5	82.9	0	0	0	0	112.8	A736 S737 L738 S744	A736-S740 PolarHBondContact O-N 3Å; S737-S740 PolarHBondContact O-N 3.14Å; S737-S740 PolarHBondContact O-OG 3.4Å; L738-S740 VanDerWaalsContact C-N 3.33Å; L738-S740 PolarHBondContact O-N 2.95Å; S740-S744 VanDerWaalsContact O-CB 3.28Å; S740-S744 WeakPolarHBondContact O-CB 3.3Å; S740-S744 PolarHBondContact O-N 3.25Å; S740-S744 PolarHBondContact O-OG 3.35Å
741	V	29.8	Very low	35.5	Very low	81 Å²	81	75.3 Å²	75.3	49%	0.491	43%	0.426	S	S	.	.	H	α-helix	trans	-71.5	-45.9	177.1	174.1	0	0	0	0	110.3	S737 L738 L739 S744 I745	S737-V741 PolarHBondContact O-N 3.47Å; L738-V741 WeakPolarHBondContact O-CB 3.25Å; L738-V741 PolarHBondContact O-N 2.91Å; L738-V741 VanDerWaalsContact O-N 3.12Å; L739-V741 PolarHBondContact O-N 3.37Å; V741-S744 PolarHBondContact O-N 3.3Å; V741-I745 HydrophobicContact CG1-CD1 3.88Å; V741-I745 VanDerWaalsContact O-CG1 3.25Å; V741-I745 WeakPolarHBondContact O-CG1 3.22Å; V741-I745 PolarHBondContact O-N 3.4Å
742	T	30	Very low	35	Very low	51 Å²	51	81.8 Å²	81.8	31%	0.313	45%	0.452	S	S	.	.	H	α-helix	trans	-64.3	-38.9	176.8	33.6	0	0	0	0	113.3	L738 L739 I745 S746	L738-T742 PolarHBondContact O-N 2.79Å; L738-T742 PolarHBondContact O-OG1 2.79Å; L738-T742 VanDerWaalsContact O-OG1 3.04Å; L739-T742 VanDerWaalsContact CA-OG1 3.26Å; L739-T742 WeakPolarHBondContact CA-OG1 3.16Å; L739-T742 PolarHBondContact O-N 2.82Å; L739-T742 PolarHBondContact O-OG1 2.9Å; T742-I745 PolarHBondContact O-N 3.47Å; T742-S746 PolarHBondContact O-N 2.97Å; T742-S746 PolarHBondContact O-OG 3.26Å
743	D	32.4	Very low	34.6	Very low	84 Å²	84	84.1 Å²	84.1	45%	0.449	47%	0.465	S	S	.	.	H	α-helix	trans	-68.1	-40.6	175.5	-84.9	-10.8	0	0	0	111.2	L739 I745 S746 Q747	L739-D743 WeakPolarHBondContact O-CB 3.46Å; L739-D743 PolarHBondContact O-N 3.42Å; D743-I745 VanDerWaalsContact C-N 3.3Å; D743-I745 PolarHBondContact O-N 3.34Å; D743-S746 PolarHBondContact O-N 3.49Å; D743-Q747 WeakPolarHBondContact O-CB 3.08Å; D743-Q747 VanDerWaalsContact O-CG 3.28Å; D743-Q747 WeakPolarHBondContact O-CG 3.33Å; D743-Q747 PolarHBondContact O-N 3.04Å
744	S	29.4	Very low	34.3	Very low	61 Å²	61	89.2 Å²	89.2	43%	0.427	49%	0.491	S	S	.	.	H	α-helix	trans	-60.1	-41.4	172.8	-62.6	0	0	0	0	111.4	S740 V741 I748	S740-S744 VanDerWaalsContact O-CB 3.28Å; S740-S744 WeakPolarHBondContact O-CB 3.3Å; S740-S744 PolarHBondContact O-N 3.25Å; S740-S744 PolarHBondContact O-OG 3.35Å; V741-S744 PolarHBondContact O-N 3.3Å; S744-I748 WeakPolarHBondContact O-CB 3.44Å; S744-I748 WeakPolarHBondContact O-CD1 3.3Å; S744-I748 WeakPolarHBondContact O-CG1 3.31Å; S744-I748 PolarHBondContact O-N 2.79Å
745	I	29	Very low	33.9	Very low	88 Å²	88	89.9 Å²	89.9	45%	0.451	50%	0.498	S	S	.	.	H	α-helix	trans	-66.7	-43.4	177.1	-69.3	166.5	0	0	0	111	V741 T742 D743 I748 I749	V741-I745 HydrophobicContact CG1-CD1 3.88Å; V741-I745 VanDerWaalsContact O-CG1 3.25Å; V741-I745 WeakPolarHBondContact O-CG1 3.22Å; V741-I745 PolarHBondContact O-N 3.4Å; T742-I745 PolarHBondContact O-N 3.47Å; D743-I745 VanDerWaalsContact C-N 3.3Å; D743-I745 PolarHBondContact O-N 3.34Å; I745-I748 PolarHBondContact O-N 2.88Å; I745-I749 HydrophobicContact CG2-CD1 3.85Å; I745-I749 VanDerWaalsContact O-CG1 3.24Å; I745-I749 WeakPolarHBondContact O-CG1 3.48Å; I745-I749 PolarHBondContact O-N 2.89Å
746	S	31.1	Very low	33.1	Very low	59 Å²	59	91 Å²	91	41%	0.413	51%	0.513	S	S	.	.	H	α-helix	trans	-62.8	-44.3	176.5	-68.5	0	0	0	0	111.6	T742 D743 I748 I749 D750	T742-S746 PolarHBondContact O-N 2.97Å; T742-S746 PolarHBondContact O-OG 3.26Å; D743-S746 PolarHBondContact O-N 3.49Å; S746-I748 VanDerWaalsContact C-N 3.34Å; S746-I748 PolarHBondContact O-N 3.36Å; S746-I749 WeakPolarHBondContact O-CB 3.4Å; S746-I749 PolarHBondContact O-N 3.01Å; S746-I749 VanDerWaalsContact O-N 3.13Å; S746-D750 PolarHBondContact O-N 3.05Å
747	Q	32.9	Very low	32.7	Very low	116 Å²	116	95.2 Å²	95.2	54%	0.542	53%	0.528	S	S	.	.	H	α-helix	trans	-63.5	-38.2	175.6	-70.8	177.4	27.8	0	0	112.2	D743 I749 D750 I751	D743-Q747 WeakPolarHBondContact O-CB 3.08Å; D743-Q747 VanDerWaalsContact O-CG 3.28Å; D743-Q747 WeakPolarHBondContact O-CG 3.33Å; D743-Q747 PolarHBondContact O-N 3.04Å; Q747-I749 VanDerWaalsContact C-N 3.3Å; Q747-I749 PolarHBondContact O-N 3.05Å; Q747-D750 PolarHBondContact O-N 2.93Å; Q747-I751 WeakPolarHBondContact O-CB 3.29Å; Q747-I751 VanDerWaalsContact O-CG1 3.22Å; Q747-I751 WeakPolarHBondContact O-CG1 3.29Å; Q747-I751 PolarHBondContact O-N 2.94Å
748	I	31	Very low	32.5	Very low	94 Å²	94	100.2 Å²	100.2	48%	0.482	55%	0.551	S	S	.	*	H	α-helix	trans	-65.9	-34.3	174.9	-71.2	164.1	0	0	0	111.5	S744 I745 S746 K752	S744-I748 WeakPolarHBondContact O-CB 3.44Å; S744-I748 WeakPolarHBondContact O-CD1 3.3Å; S744-I748 WeakPolarHBondContact O-CG1 3.31Å; S744-I748 PolarHBondContact O-N 2.79Å; I745-I748 PolarHBondContact O-N 2.88Å; S746-I748 VanDerWaalsContact C-N 3.34Å; S746-I748 PolarHBondContact O-N 3.36Å; I748-K752 PolarHBondContact O-N 3.43Å
749	I	32.9	Very low	32.2	Very low	106 Å²	106	98.6 Å²	98.6	54%	0.544	56%	0.559	S	S	.	*	H	α-helix	trans	-68.8	-44	175.9	-69.2	165.5	0	0	0	109.8	I745 S746 Q747 K752 S753	I745-I749 HydrophobicContact CG2-CD1 3.85Å; I745-I749 VanDerWaalsContact O-CG1 3.24Å; I745-I749 WeakPolarHBondContact O-CG1 3.48Å; I745-I749 PolarHBondContact O-N 2.89Å; S746-I749 WeakPolarHBondContact O-CB 3.4Å; S746-I749 PolarHBondContact O-N 3.01Å; S746-I749 VanDerWaalsContact O-N 3.13Å; Q747-I749 VanDerWaalsContact C-N 3.3Å; Q747-I749 PolarHBondContact O-N 3.05Å; I749-K752 PolarHBondContact O-N 3.25Å; I749-S753 PolarHBondContact O-N 3.26Å; I749-S753 PolarHBondContact O-OG 3.07Å
750	D	31.9	Very low	31.7	Very low	98 Å²	98	99 Å²	99	52%	0.524	57%	0.569	S	S	.	*	H	α-helix	trans	-70.4	-39	-178.9	-69.6	-18.1	0	0	0	112.8	S746 Q747 K752 S753 D754	S746-D750 PolarHBondContact O-N 3.05Å; Q747-D750 PolarHBondContact O-N 2.93Å; D750-K752 PolarHBondContact O-N 3.38Å; D750-S753 WeakPolarHBondContact CA-OG 3.44Å; D750-S753 PolarHBondContact O-N 2.91Å; D750-S753 VanDerWaalsContact O-N 3.17Å; D750-S753 PolarHBondContact O-OG 3.15Å; D750-D754 PolarHBondContact O-N 2.71Å
751	I	39.6	Very low	31.2	Very low	118 Å²	118	102.5 Å²	102.5	61%	0.605	58%	0.583	S	S	*	*	H	α-helix	trans	-65.7	-28.7	176.1	-67.5	166.5	0	0	0	111.4	Q747 S755	Q747-I751 WeakPolarHBondContact O-CB 3.29Å; Q747-I751 VanDerWaalsContact O-CG1 3.22Å; Q747-I751 WeakPolarHBondContact O-CG1 3.29Å; Q747-I751 PolarHBondContact O-N 2.94Å; I751-S755 PolarHBondContact O-OG 3.42Å
752	K	34.7	Very low	31.1	Very low	156 Å²	156	105.2 Å²	105.2	68%	0.678	59%	0.594	S	S	*	*	H	α-helix	trans	-81.7	-19.2	176.3	-80.7	-177.7	178.3	172.8	0	113.8	I748 I749 D750	I748-K752 PolarHBondContact O-N 3.43Å; I749-K752 PolarHBondContact O-N 3.25Å; D750-K752 PolarHBondContact O-N 3.38Å
753	S	36.9	Very low	30.9	Very low	74 Å²	74	108.2 Å²	108.2	52%	0.517	62%	0.617	S	S	.	*	H	α-helix	trans	-79.2	-30.6	173	41.6	0	0	0	0	113.1	I749 D750	I749-S753 PolarHBondContact O-N 3.26Å; I749-S753 PolarHBondContact O-OG 3.07Å; D750-S753 WeakPolarHBondContact CA-OG 3.44Å; D750-S753 PolarHBondContact O-N 2.91Å; D750-S753 VanDerWaalsContact O-N 3.17Å; D750-S753 PolarHBondContact O-OG 3.15Å
754	D	34.3	Very low	31.2	Very low	138 Å²	138	110.3 Å²	110.3	74%	0.738	64%	0.635	S	S	*	*	H	α-helix	trans	-103	-2.1	-168.5	-72	-11.8	0	0	0	115.9	D750 N756	D750-D754 PolarHBondContact O-N 2.71Å; D754-N756 VanDerWaalsContact C-N 3.3Å; D754-N756 PolarHBondContact O-N 3.3Å; D754-N756 VanDerWaalsContact O-N 3.16Å
755	S	31	Very low	31.1	Very low	84 Å²	84	113 Å²	113	59%	0.587	66%	0.655	S	S	*	*			trans	-90.5	56.2	174.3	50.6	0	0	0	0	113.1	I751	I751-S755 PolarHBondContact O-OG 3.42Å
756	N	29.7	Very low	30.9	Very low	146 Å²	146	116.2 Å²	116.2	78%	0.781	67%	0.673	S	S	*	*			trans	-153.8	75.7	161.2	-92.6	-31	0	0	0	109.1	D754	D754-N756 VanDerWaalsContact C-N 3.3Å; D754-N756 PolarHBondContact O-N 3.3Å; D754-N756 VanDerWaalsContact O-N 3.16Å
757	N	31.2	Very low	30.7	Very low	144 Å²	144	120.3 Å²	120.3	77%	0.77	70%	0.695	S	S	*	*			trans	-176.7	116.9	143.4	-92.2	-30.8	0	0	0	111.5
758	N	29.5	Very low	30.2	Very low	152 Å²	152	122.5 Å²	122.5	81%	0.813	71%	0.711	S	S	*	*			trans	52.3	119.5	138.9	-60.9	-22.5	0	0	0	120.7
759	G	27	Very low	30.6	Very low	66 Å²	66	123.1 Å²	123.1	68%	0.68	72%	0.721	S	S	*	*				101.5	90.5	111.9	0	0	0	0	0	116.3
760	S	25.6	Very low	30.1	Very low	99 Å²	99	123.9 Å²	123.9	69%	0.692	74%	0.735	S	S	*	*				38	111.7	124.3	65.1	0	0	0	0	118.3
761	N	25.6	Very low	29.8	Very low	138 Å²	138	125.2 Å²	125.2	74%	0.738	75%	0.747	S	S	*	*				139.2	130.4	115.6	-76.2	-21.5	0	0	0	114.1
762	N	28.2	Very low	29	Very low	138 Å²	138	127.2 Å²	127.2	74%	0.738	76%	0.759	S	S	*	*			trans	77.1	88.8	145.1	-58.5	-10.1	0	0	0	118.4
763	S	25.4	Very low	28.4	Very low	113 Å²	113	127.2 Å²	127.2	79%	0.79	77%	0.765	S	S	*	*				40.8	144.2	113.8	-42.2	0	0	0	0	121.3
764	P	39.2	Very low	27.7	Very low	128 Å²	128	129.9 Å²	129.9	83%	0.831	78%	0.778	S	S	*	*			trans	-96.5	152.3	-159.1	38.5	-31.4	0	0	0	113.3
765	S	26	Very low	27.1	Very low	119 Å²	119	127.8 Å²	127.8	83%	0.832	77%	0.774	S	S	*	*			trans	-132.2	107.8	160.9	57.2	0	0	0	0	109.6
766	N	24.4	Very low	26.7	Very low	155 Å²	155	130.5 Å²	130.5	83%	0.829	78%	0.782	S	S	*	*			trans	-52.6	140.7	153	-89.2	-26.4	0	0	0	109.9
767	T	27.1	Very low	26.3	Very low	144 Å²	144	129.1 Å²	129.1	88%	0.883	78%	0.784	S	S	*	*				-171	143.9	118.2	29.3	0	0	0	0	110.9
768	N	23.6	Very low	25.9	Very low	163 Å²	163	127.5 Å²	127.5	87%	0.872	78%	0.784	S	S	*	*			trans	-65.4	174.6	-170.7	-98.4	-17.5	0	0	0	116.1
769	P	38	Very low	25.5	Very low	106 Å²	106	128.8 Å²	128.8	69%	0.688	79%	0.787	S	S	*	*			trans	-99.9	156.5	-142.3	38.7	-35.1	0	0	0	114.5
770	S	23.8	Very low	25.3	Very low	122 Å²	122	131.6 Å²	131.6	85%	0.853	80%	0.795	S	S	*	*			trans	-152	78.8	150.7	49.3	0	0	0	0	108.6	N772	S770-N772 PolarHBondContact O-N 3.49Å; S770-N772 VanDerWaalsContact O-N 3.1Å
771	V	24.7	Very low	25.1	Very low	127 Å²	127	133.4 Å²	133.4	77%	0.77	80%	0.802	S	S	*	*			trans	-70.9	100.4	171.3	174.6	0	0	0	0	107.4
772	N	23	Very low	25	Very low	160 Å²	160	132.3 Å²	132.3	86%	0.856	80%	0.8	S	S	*	*			trans	-83.5	123.6	160.3	-106.1	-10	0	0	0	108.4	S770 T774	S770-N772 PolarHBondContact O-N 3.49Å; S770-N772 VanDerWaalsContact O-N 3.1Å; N772-T774 PolarHBondContact O-N 2.89Å
773	I	22.2	Very low	24.8	Very low	156 Å²	156	131.1 Å²	131.1	80%	0.8	80%	0.802	S	S	*	*			trans	-66	118.3	-173.7	-64.2	158.8	0	0	0	109.7
774	T	22.3	Very low	24.7	Very low	129 Å²	129	131.4 Å²	131.4	79%	0.791	80%	0.8	S	S	*	*			trans	-134.8	117.6	153.5	50.6	0	0	0	0	108.5	N772	N772-T774 PolarHBondContact O-N 2.89Å
775	S	21.5	Very low	24.1	Very low	94 Å²	94	133.8 Å²	133.8	66%	0.657	80%	0.797	S	S	*	*			trans	-30.1	128.3	167.7	49.5	0	0	0	0	115.2
776	D	22.4	Very low	23.9	Very low	142 Å²	142	140.1 Å²	140.1	76%	0.759	80%	0.802	S	S	*	*				173.3	119.2	109.8	-85	-25.8	0	0	0	112.1
777	S	22.2	Very low	23.9	Very low	116 Å²	116	137.6 Å²	137.6	81%	0.811	79%	0.792	S	S	*	*			trans	19.2	99.4	152.7	62.2	0	0	0	0	119.3
778	S	22.5	Very low	23.7	Very low	111 Å²	111	137.6 Å²	137.6	78%	0.776	79%	0.786	S	S	*	*			trans	-156.8	107.3	141.9	49	0	0	0	0	111.9
779	M	21.4	Very low	23.7	Very low	179 Å²	179	137.4 Å²	137.4	88%	0.882	79%	0.785	S	S	*	*			trans	36.9	89.1	145.6	-59.9	-97.8	84.1	0	0	117.2	T781	M779-T781 PolarHBondContact O-N 2.82Å; M779-T781 VanDerWaalsContact O-N 3.08Å
780	C	21.8	Very low	23	Very low	125 Å²	125	136.7 Å²	136.7	85%	0.845	78%	0.778	S	S	*	*			trans	-61.3	105.7	163	-74.7	0	0	0	0	111	V782	C780-V782 PolarHBondContact O-N 3.29Å; C780-V782 VanDerWaalsContact O-N 3.15Å
781	T	22.6	Very low	23	Very low	137 Å²	137	136 Å²	136	84%	0.84	77%	0.77	S	S	*	*			trans	-69.6	98.3	157.2	49.2	0	0	0	0	108.2	M779 S783	M779-T781 PolarHBondContact O-N 2.82Å; M779-T781 VanDerWaalsContact O-N 3.08Å; T781-S783 PolarHBondContact O-N 3.42Å
782	V	23.7	Very low	23.2	Very low	114 Å²	114	136.3 Å²	136.3	69%	0.691	77%	0.773	S	S	*	*			trans	-66.7	104.9	173.6	175.4	0	0	0	0	108.3	C780 T784	C780-V782 PolarHBondContact O-N 3.29Å; C780-V782 VanDerWaalsContact O-N 3.15Å; V782-T784 HydrophobicContact CG1-CG2 3.92Å; V782-T784 PolarHBondContact O-N 3.15Å; V782-T784 VanDerWaalsContact O-N 3.15Å
783	S	23.6	Very low	23.4	Very low	113 Å²	113	136.8 Å²	136.8	79%	0.79	77%	0.77	S	S	*	*			trans	-73.2	93.8	171.2	178.8	0	0	0	0	109.5	T781	T781-S783 PolarHBondContact O-N 3.42Å
784	T	23.3	Very low	23.5	Very low	120 Å²	120	137.1 Å²	137.1	74%	0.736	77%	0.768	S	S	*	*			trans	-107.5	69.1	165.5	43.5	0	0	0	0	109.8	V782	V782-T784 HydrophobicContact CG1-CG2 3.92Å; V782-T784 PolarHBondContact O-N 3.15Å; V782-T784 VanDerWaalsContact O-N 3.15Å
785	K	25.4	Very low	23.6	Very low	178 Å²	178	141 Å²	141	77%	0.774	77%	0.768	S	S	*	*			trans	-129.3	78.4	157.7	-82	-170.3	177	-176.2	0	108.6	V787	K785-V787 HydrophobicContact CB-CG2 4.22Å; K785-V787 PolarHBondContact O-N 2.94Å
786	R	22.2	Very low	23.8	Very low	251 Å²	251	139.1 Å²	139.1	95%	0.947	76%	0.764	S	S	*	*			trans	-72.3	81.9	154.2	-77.4	-168.7	-168	-175.5	6.5	106.7	I788	R786-I788 PolarHBondContact O-N 3.46Å
787	V	24.2	Very low	24	Very low	102 Å²	102	138.6 Å²	138.6	62%	0.618	77%	0.768	S	S	*	*			trans	-60	128.2	164.9	178.1	0	0	0	0	106.6	K785 N789	K785-V787 HydrophobicContact CB-CG2 4.22Å; K785-V787 PolarHBondContact O-N 2.94Å; V787-N789 PolarHBondContact O-N 3.48Å
788	I	24	Very low	24.2	Very low	144 Å²	144	138.6 Å²	138.6	74%	0.738	76%	0.763	S	S	*	*			trans	-56	100.1	172.5	-66.7	167.7	0	0	0	107.6	R786 V790	R786-I788 PolarHBondContact O-N 3.46Å; I788-V790 HydrophobicContact CG2-CB 4.28Å; I788-V790 HydrophobicContact CG2-CG2 3.33Å; I788-V790 PolarHBondContact O-N 3.31Å
789	N	22.4	Very low	24.2	Very low	160 Å²	160	138.7 Å²	138.7	86%	0.856	76%	0.763	S	S	*	*			trans	-77.4	76.2	172.2	-96.3	-12.4	0	0	0	108.4	V787	V787-N789 PolarHBondContact O-N 3.48Å
790	V	23.9	Very low	24.3	Very low	91 Å²	91	134.5 Å²	134.5	55%	0.552	76%	0.756	S	S	*	*			trans	-86.1	129.1	167.2	172.8	0	0	0	0	107.9	I788 T792	I788-V790 HydrophobicContact CG2-CB 4.28Å; I788-V790 HydrophobicContact CG2-CG2 3.33Å; I788-V790 PolarHBondContact O-N 3.31Å; V790-T792 PolarHBondContact O-N 2.92Å; V790-T792 VanDerWaalsContact O-N 3.13Å
791	P	24.8	Very low	24.6	Very low	106 Å²	106	137.1 Å²	137.1	69%	0.688	75%	0.754	S	S	*	*			trans	-57.3	116.5	-173.5	-23.2	32.2	0	0	0	112.3	Q793	P791-Q793 PolarHBondContact O-N 3.17Å
792	T	27.4	Very low	24.8	Very low	134 Å²	134	137.4 Å²	137.4	82%	0.822	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	7.4	-169	47.4	0	0	0	0	115.7	V790	V790-T792 PolarHBondContact O-N 2.92Å; V790-T792 VanDerWaalsContact O-N 3.13Å
793	Q	27.1	Very low	25	Very low	170 Å²	170	138.7 Å²	138.7	79%	0.794	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	1.2	-167.4	-66.4	-168.9	-1.8	0	0	116.4	P791	P791-Q793 PolarHBondContact O-N 3.17Å
794	H	24.8	Very low	25.4	Very low	164 Å²	164	140 Å²	140	76%	0.759	75%	0.748	S	S	*	*	S	Bend	trans	-128.1	8.1	-174.4	-70.3	90.5	0	0	0	117.3
795	W	24.9	Very low	25.9	Very low	210 Å²	210	140.1 Å²	140.1	80%	0.795	75%	0.745	S	S	*	*			trans	-108.7	95.5	-174.9	-70	61	0	0	0	111.2	V798	W795-V798 HydrophobicContact CE3-CG2 4.46Å
796	G	26.6	Very low	26.5	Very low	55 Å²	55	136.4 Å²	136.4	57%	0.567	73%	0.733	S	S	*	*			trans	-62.8	164.7	158.7	0	0	0	0	0	111.4	V798	G796-V798 PolarHBondContact O-N 3.12Å
797	P	26.6	Very low	27.3	Very low	130 Å²	130	130.1 Å²	130.1	84%	0.844	72%	0.718	S	S	*	*			trans	-58.8	124.5	-172.8	23.1	-32.2	0	0	0	111.7	C799	P797-C799 PolarHBondContact O-N 3.22Å
798	V	24.6	Very low	27.7	Very low	116 Å²	116	133 Å²	133	70%	0.703	72%	0.723	S	S	*	*			trans	-60.3	115	179.3	-180	0	0	0	0	109.4	W795 G796	W795-V798 HydrophobicContact CE3-CG2 4.46Å; G796-V798 PolarHBondContact O-N 3.12Å
799	C	22.4	Very low	28.3	Very low	114 Å²	114	131.5 Å²	131.5	77%	0.77	71%	0.711	S	S	*	*			trans	-65.3	144.4	172.8	-82	0	0	0	0	110.7	P797	P797-C799 PolarHBondContact O-N 3.22Å
800	A	24.6	Very low	29.1	Very low	91 Å²	91	128 Å²	128	75%	0.752	69%	0.693	S	S	*	*			trans	-59	140.1	179	0	0	0	0	0	111.5	D802	A800-D802 PolarHBondContact O-N 3.09Å
801	F	27.3	Very low	29.7	Very low	179 Å²	179	128.2 Å²	128.2	79%	0.785	69%	0.693	S	S	*	*	S	Bend	trans	-49.3	100.5	-178.7	-61.6	-91	0	0	0	112.8
802	D	27.4	Very low	30.4	Very low	144 Å²	144	128.6 Å²	128.6	77%	0.77	69%	0.685	S	S	*	*			trans	-151.2	24	161.1	-89.8	-29.4	0	0	0	111.7	A800 I804	A800-D802 PolarHBondContact O-N 3.09Å; D802-I804 PolarHBondContact O-N 2.64Å
803	I	28.2	Very low	31	Very low	141 Å²	141	126.5 Å²	126.5	72%	0.723	66%	0.662	S	S	*	*			trans	-94	82.4	172.9	-52.9	179.4	0	0	0	108.4
804	I	30.7	Very low	31.6	Very low	139 Å²	139	120.1 Å²	120.1	71%	0.713	63%	0.633	S	S	*	*			trans	-62.3	127.1	160.8	-63.5	165	0	0	0	107	D802	D802-I804 PolarHBondContact O-N 2.64Å
805	N	35	Very low	32.4	Very low	124 Å²	124	117 Å²	117	66%	0.663	62%	0.618	S	S	*	*			trans	80.4	46.6	166.1	-59	-13.2	0	0	0	120.4
806	D	37.6	Very low	33.1	Very low	99 Å²	99	110.1 Å²	110.1	53%	0.529	60%	0.597	S	S	.	*			trans	-95.8	89.1	154.2	-94.5	-31.5	0	0	0	109.9	F808 F809 N810	D806-F808 PolarHBondContact O-N 3.39Å; D806-F809 HydrophobicContact CB-CB 4.07Å; D806-F809 WeakPolarHBondContact O-CB 3.19Å; D806-F809 PolarHBondContact O-N 3.14Å; D806-N810 PolarHBondContact O-N 3.05Å
807	D	38.5	Very low	33.8	Very low	120 Å²	120	110.5 Å²	110.5	64%	0.642	59%	0.585	S	S	*	*	H	α-helix	trans	-50.9	-28.7	169.8	-73.4	-34.4	0	0	0	111.6	N810 V811	D807-N810 PolarHBondContact O-N 2.8Å; D807-V811 WeakPolarHBondContact O-CG2 3.41Å; D807-V811 PolarHBondContact O-N 3.19Å; D807-V811 VanDerWaalsContact O-N 3.12Å
808	F	32.3	Very low	34.6	Very low	162 Å²	162	106.4 Å²	106.4	71%	0.711	56%	0.556	S	S	*	*	H	α-helix	trans	-64.4	-37.7	174.6	-164.1	-97.5	0	0	0	113.3	D806 F812	D806-F808 PolarHBondContact O-N 3.39Å; F808-F812 VanDerWaalsContact O-CB 3.23Å; F808-F812 WeakPolarHBondContact O-CB 3.08Å; F808-F812 PolarHBondContact O-N 2.81Å
809	F	36.8	Very low	35.5	Very low	112 Å²	112	104.6 Å²	104.6	49%	0.491	54%	0.543	S	S	.	.	H	α-helix	trans	-66.8	-42.5	178.4	-175.7	-92	0	0	0	111.2	D806 W813	D806-F809 HydrophobicContact CB-CB 4.07Å; D806-F809 WeakPolarHBondContact O-CB 3.19Å; D806-F809 PolarHBondContact O-N 3.14Å; F809-W813 AromaticContact CD2-CD1 3.94Å; F809-W813 AromaticContact CE1-CD1 3.66Å; F809-W813 AromaticContact CE2-CD1 3.53Å; F809-W813 AromaticContact CE2-NE1 3.35Å; F809-W813 AromaticContact CZ-CD1 3.37Å; F809-W813 HydrophobicContact CZ-CG 4.47Å; F809-W813 AromaticContact CZ-NE1 3.33Å; F809-W813 VanDerWaalsContact CZ-NE1 3.33Å; F809-W813 PolarHBondContact O-N 3.3Å
810	N	39.1	Very low	36.4	Very low	88 Å²	88	104.1 Å²	104.1	47%	0.471	53%	0.529	S	S	.	.	H	α-helix	trans	-62.2	-50.8	177.4	-70.8	-28.8	0	0	0	110.8	D806 D807 F812 I814	D806-N810 PolarHBondContact O-N 3.05Å; D807-N810 PolarHBondContact O-N 2.8Å; N810-F812 PolarHBondContact O-N 3.04Å; N810-I814 WeakPolarHBondContact O-CD1 3.35Å; N810-I814 WeakPolarHBondContact O-CG1 3.32Å; N810-I814 PolarHBondContact O-N 3.47Å
811	V	37.2	Very low	37.2	Very low	94 Å²	94	103.1 Å²	103.1	57%	0.57	52%	0.516	S	S	*	.	H	α-helix	trans	-63.5	-43.5	-179.1	176.5	0	0	0	0	112	D807 W813 Q815	D807-V811 WeakPolarHBondContact O-CG2 3.41Å; D807-V811 PolarHBondContact O-N 3.19Å; D807-V811 VanDerWaalsContact O-N 3.12Å; V811-W813 PolarHBondContact O-N 3.41Å; V811-Q815 PolarHBondContact O-N 3.47Å; V811-Q815 VanDerWaalsContact O-N 3.13Å
812	F	38.6	Very low	37.9	Very low	114 Å²	114	100.7 Å²	100.7	50%	0.5	50%	0.502	S	S	.	.	H	α-helix	trans	-63.7	-43.9	-177.2	-176.5	-102	0	0	0	112.9	F808 N810 Q815 I816	F808-F812 VanDerWaalsContact O-CB 3.23Å; F808-F812 WeakPolarHBondContact O-CB 3.08Å; F808-F812 PolarHBondContact O-N 2.81Å; N810-F812 PolarHBondContact O-N 3.04Å; F812-Q815 PolarHBondContact O-N 3.29Å; F812-I816 HydrophobicContact CD1-CD1 3.95Å; F812-I816 HydrophobicContact CE1-CD1 3.37Å; F812-I816 HydrophobicContact CE1-CG1 4.38Å; F812-I816 HydrophobicContact CZ-CD1 3.74Å; F812-I816 PolarHBondContact O-N 3.42Å; F812-I816 VanDerWaalsContact O-N 3.14Å
813	W	40.8	Very low	38.7	Very low	91 Å²	91	96.9 Å²	96.9	35%	0.345	48%	0.484	S	S	.	.	H	α-helix	trans	-71.7	-36.3	-179.4	-91.9	105	0	0	0	113.5	V733 F809 V811 Q815 I816 L817	V733-W813 HydrophobicContact CG1-CD2 4.45Å; F809-W813 AromaticContact CD2-CD1 3.94Å; F809-W813 AromaticContact CE1-CD1 3.66Å; F809-W813 AromaticContact CE2-CD1 3.53Å; F809-W813 AromaticContact CE2-NE1 3.35Å; F809-W813 AromaticContact CZ-CD1 3.37Å; F809-W813 HydrophobicContact CZ-CG 4.47Å; F809-W813 AromaticContact CZ-NE1 3.33Å; F809-W813 VanDerWaalsContact CZ-NE1 3.33Å; F809-W813 PolarHBondContact O-N 3.3Å; V811-W813 PolarHBondContact O-N 3.41Å; W813-Q815 VanDerWaalsContact C-N 3.28Å; W813-Q815 PolarHBondContact O-N 2.69Å; W813-I816 HydrophobicContact CE3-CG2 4.41Å; W813-I816 HydrophobicContact CZ3-CG2 4.36Å; W813-I816 PolarHBondContact O-N 2.88Å; W813-L817 PolarHBondContact O-N 3.41Å
814	I	40.2	Very low	39.4	Very low	35 Å²	35	94.1 Å²	94.1	18%	0.179	47%	0.471	C	S	.	.	H	α-helix	trans	-59.3	-44.9	172.6	-63.8	157.7	0	0	0	109.7	W726 N810 I816 L817 L818	W726-I814 HydrophobicContact CE3-CD1 4.4Å; W726-I814 HydrophobicContact CH2-CD1 3.16Å; W726-I814 HydrophobicContact CH2-CG1 4.31Å; W726-I814 HydrophobicContact CZ2-CD1 4.29Å; W726-I814 HydrophobicContact CZ3-CD1 3.23Å; W726-I814 HydrophobicContact CZ3-CG1 4.04Å; N810-I814 WeakPolarHBondContact O-CD1 3.35Å; N810-I814 WeakPolarHBondContact O-CG1 3.32Å; N810-I814 PolarHBondContact O-N 3.47Å; I814-I816 VanDerWaalsContact C-N 3.32Å; I814-I816 PolarHBondContact O-N 3.38Å; I814-L817 PolarHBondContact O-N 2.59Å; I814-L818 HydrophobicContact CG2-CD1 3.71Å; I814-L818 HydrophobicContact CG2-CG 4.19Å; I814-L818 WeakPolarHBondContact O-CB 3.33Å; I814-L818 WeakPolarHBondContact O-CG 3.48Å; I814-L818 PolarHBondContact O-N 3.46Å
815	Q	40.4	Very low	40	Very low	98 Å²	98	89.8 Å²	89.8	46%	0.458	45%	0.449	S	S	.	.	H	α-helix	trans	-62.3	-39.6	179.3	-160.5	68.6	35.4	0	0	111.9	V811 F812 W813 N819	V811-Q815 PolarHBondContact O-N 3.47Å; V811-Q815 VanDerWaalsContact O-N 3.13Å; F812-Q815 PolarHBondContact O-N 3.29Å; W813-Q815 VanDerWaalsContact C-N 3.28Å; W813-Q815 PolarHBondContact O-N 2.69Å; Q815-N819 VanDerWaalsContact O-CB 3.24Å; Q815-N819 WeakPolarHBondContact O-CB 3.39Å; Q815-N819 PolarHBondContact O-N 3.04Å; Q815-N819 PolarHBondContact O-ND2 3.12Å
816	I	41	Very low	40.6	Very low	67 Å²	67	88 Å²	88	34%	0.344	44%	0.436	S	S	.	.	H	α-helix	trans	-64.6	-47.3	175.2	-71.7	-179.8	0	0	0	111.2	F812 W813 I814 N819 Q820	F812-I816 HydrophobicContact CD1-CD1 3.95Å; F812-I816 HydrophobicContact CE1-CD1 3.37Å; F812-I816 HydrophobicContact CE1-CG1 4.38Å; F812-I816 HydrophobicContact CZ-CD1 3.74Å; F812-I816 PolarHBondContact O-N 3.42Å; F812-I816 VanDerWaalsContact O-N 3.14Å; W813-I816 HydrophobicContact CE3-CG2 4.41Å; W813-I816 HydrophobicContact CZ3-CG2 4.36Å; W813-I816 PolarHBondContact O-N 2.88Å; I814-I816 VanDerWaalsContact C-N 3.32Å; I814-I816 PolarHBondContact O-N 3.38Å; I816-N819 PolarHBondContact O-N 3.34Å; I816-Q820 WeakPolarHBondContact O-CB 3.29Å; I816-Q820 PolarHBondContact O-N 3.07Å
817	L	41.3	Very low	41	Very low	63 Å²	63	88 Å²	88	33%	0.33	43%	0.433	S	S	.	.	H	α-helix	trans	-64.6	-42.2	-180	-83	167.6	0	0	0	112.1	V733 W813 I814 Q820 S821	V733-L817 HydrophobicContact CG2-CD1 3.54Å; W813-L817 PolarHBondContact O-N 3.41Å; I814-L817 PolarHBondContact O-N 2.59Å; L817-Q820 PolarHBondContact O-N 3.32Å; L817-S821 VanDerWaalsContact O-CB 3.3Å; L817-S821 WeakPolarHBondContact O-CB 3.38Å; L817-S821 PolarHBondContact O-N 3.3Å; L817-S821 PolarHBondContact O-OG 3.45Å
818	L	43.6	Very low	41.2	Very low	43 Å²	43	84.2 Å²	84.2	23%	0.225	42%	0.418	C	S	.	.	H	α-helix	trans	-63	-45	174.5	-76.7	173.4	0	0	0	111.1	L629 I814 Q820 S821 R822	L629-L818 HydrophobicContact CD2-CD2 3.93Å; I814-L818 HydrophobicContact CG2-CD1 3.71Å; I814-L818 HydrophobicContact CG2-CG 4.19Å; I814-L818 WeakPolarHBondContact O-CB 3.33Å; I814-L818 WeakPolarHBondContact O-CG 3.48Å; I814-L818 PolarHBondContact O-N 3.46Å; L818-Q820 PolarHBondContact O-N 3.45Å; L818-S821 PolarHBondContact O-N 3.35Å; L818-R822 WeakPolarHBondContact O-CB 3.48Å; L818-R822 PolarHBondContact O-N 2.92Å
819	N	42.9	Very low	41.6	Very low	79 Å²	79	78.7 Å²	78.7	42%	0.422	40%	0.395	S	S	.	.	H	α-helix	trans	-62.3	-42.7	176.6	-76.8	-16.7	0	0	0	111.5	Q815 I816 R822 T823	Q815-N819 VanDerWaalsContact O-CB 3.24Å; Q815-N819 WeakPolarHBondContact O-CB 3.39Å; Q815-N819 PolarHBondContact O-N 3.04Å; Q815-N819 PolarHBondContact O-ND2 3.12Å; I816-N819 PolarHBondContact O-N 3.34Å; N819-R822 PolarHBondContact O-N 3.22Å; N819-T823 WeakPolarHBondContact O-CG2 3.45Å; N819-T823 PolarHBondContact O-N 3.43Å; N819-T823 PolarHBondContact O-OG1 3.34Å
820	Q	41.9	Very low	42.2	Very low	103 Å²	103	75.9 Å²	75.9	48%	0.481	39%	0.389	S	S	.	.	H	α-helix	trans	-66.1	-44.7	177.9	-171.4	62.4	45.9	0	0	111.6	I816 L817 L818 R822 T823 N824	I816-Q820 WeakPolarHBondContact O-CB 3.29Å; I816-Q820 PolarHBondContact O-N 3.07Å; L817-Q820 PolarHBondContact O-N 3.32Å; L818-Q820 PolarHBondContact O-N 3.45Å; Q820-R822 VanDerWaalsContact C-N 3.31Å; Q820-R822 PolarHBondContact O-N 3.37Å; Q820-T823 WeakPolarHBondContact CA-OG1 3.37Å; Q820-T823 PolarHBondContact NE2-OG1 2.72Å; Q820-T823 PolarHBondContact O-N 3.02Å; Q820-T823 PolarHBondContact O-OG1 2.93Å; Q820-N824 PolarHBondContact NE2-OD1 3.2Å; Q820-N824 WeakPolarHBondContact O-CB 3.24Å; Q820-N824 VanDerWaalsContact O-CG 3.26Å; Q820-N824 PolarHBondContact O-N 2.86Å; Q820-N824 PolarHBondContact O-OD1 3.4Å
821	S	41.2	Very low	42.4	Very low	70 Å²	70	77.5 Å²	77.5	49%	0.49	39%	0.392	S	S	.	.	H	α-helix	trans	-61.1	-42.9	177.4	-55.9	0	0	0	0	110.9	L817 L818 N824 L825	L817-S821 VanDerWaalsContact O-CB 3.3Å; L817-S821 WeakPolarHBondContact O-CB 3.38Å; L817-S821 PolarHBondContact O-N 3.3Å; L817-S821 PolarHBondContact O-OG 3.45Å; L818-S821 PolarHBondContact O-N 3.35Å; S821-N824 PolarHBondContact O-N 2.84Å; S821-L825 WeakPolarHBondContact O-CB 3.22Å; S821-L825 PolarHBondContact O-N 2.93Å
822	R	42.3	Very low	42.5	Very low	128 Å²	128	77.8 Å²	77.8	48%	0.483	39%	0.39	S	S	.	.	H	α-helix	trans	-58.6	-50.2	172.6	177.6	174.8	-172.1	165.6	11.4	111.9	I633 L818 N819 Q820 N824 L825 E826	I633-R822 HydrophobicContact CG2-CB 4.19Å; I633-R822 HydrophobicContact CG2-CG 4.02Å; L818-R822 WeakPolarHBondContact O-CB 3.48Å; L818-R822 PolarHBondContact O-N 2.92Å; N819-R822 PolarHBondContact O-N 3.22Å; Q820-R822 VanDerWaalsContact C-N 3.31Å; Q820-R822 PolarHBondContact O-N 3.37Å; R822-N824 VanDerWaalsContact C-N 3.31Å; R822-N824 PolarHBondContact O-N 3.39Å; R822-L825 PolarHBondContact O-N 2.96Å; R822-E826 HydrophobicContact CG-CG 4.33Å; R822-E826 VanDerWaalsContact CG-OE1 3.28Å; R822-E826 WeakPolarHBondContact CG-OE1 3.5Å; R822-E826 IonicContact CZ-OE1 2.77Å; R822-E826 IonicContact NE-OE1 2.73Å; R822-E826 PolarHBondContact NE-OE1 3.24Å; R822-E826 IonicContact NH2-OE1 2.83Å; R822-E826 WeakPolarHBondContact O-CB 3.48Å; R822-E826 WeakPolarHBondContact O-CG 3.3Å; R822-E826 PolarHBondContact O-N 2.84Å
823	T	44	Very low	42.5	Very low	64 Å²	64	76.5 Å²	76.5	39%	0.393	39%	0.391	S	S	.	.	H	α-helix	trans	-62.1	-38.3	179	54.1	0	0	0	0	112.7	N819 Q820 E827	N819-T823 WeakPolarHBondContact O-CG2 3.45Å; N819-T823 PolarHBondContact O-N 3.43Å; N819-T823 PolarHBondContact O-OG1 3.34Å; Q820-T823 WeakPolarHBondContact CA-OG1 3.37Å; Q820-T823 PolarHBondContact NE2-OG1 2.72Å; Q820-T823 PolarHBondContact O-N 3.02Å; Q820-T823 PolarHBondContact O-OG1 2.93Å; T823-E827 VanDerWaalsContact O-CB 3.32Å; T823-E827 WeakPolarHBondContact O-CB 3.36Å; T823-E827 PolarHBondContact O-N 3.45Å
824	N	41.2	Very low	42.3	Very low	84 Å²	84	77 Å²	77	45%	0.449	41%	0.405	S	S	.	.	H	α-helix	trans	-67.7	-38.3	177.6	-70.2	-4.3	0	0	0	111.3	Q820 S821 R822 E827 A828	Q820-N824 PolarHBondContact NE2-OD1 3.2Å; Q820-N824 WeakPolarHBondContact O-CB 3.24Å; Q820-N824 VanDerWaalsContact O-CG 3.26Å; Q820-N824 PolarHBondContact O-N 2.86Å; Q820-N824 PolarHBondContact O-OD1 3.4Å; S821-N824 PolarHBondContact O-N 2.84Å; R822-N824 VanDerWaalsContact C-N 3.31Å; R822-N824 PolarHBondContact O-N 3.39Å; N824-E827 PolarHBondContact O-N 3.41Å; N824-A828 WeakPolarHBondContact O-CB 3.35Å; N824-A828 PolarHBondContact O-N 3.48Å
825	L	44.6	Very low	41.9	Very low	47 Å²	47	80.3 Å²	80.3	25%	0.246	42%	0.423	C	S	.	.	H	α-helix	trans	-70.6	-44.2	178.5	-158.3	71.6	0	0	0	111.3	I633 S634 L637 S821 R822 E827 A828 E829	I633-L825 HydrophobicContact CB-CD2 4.19Å; I633-L825 HydrophobicContact CG2-CD2 3.7Å; S634-L825 VanDerWaalsContact CB-CD2 3.43Å; L637-L825 HydrophobicContact CD1-CD1 4.19Å; S821-L825 WeakPolarHBondContact O-CB 3.22Å; S821-L825 PolarHBondContact O-N 2.93Å; R822-L825 PolarHBondContact O-N 2.96Å; L825-E827 VanDerWaalsContact C-N 3.31Å; L825-E827 PolarHBondContact O-N 2.91Å; L825-A828 PolarHBondContact O-N 2.85Å; L825-E829 WeakPolarHBondContact O-CB 3.42Å; L825-E829 PolarHBondContact O-N 3.31Å
826	E	47.3	Very low	41.2	Very low	87 Å²	87	82.6 Å²	82.6	41%	0.407	44%	0.438	S	S	.	.	H	α-helix	trans	-60.8	-39.6	173	-72.2	173.1	-176.9	0	0	111.2	R822 E829 S830	R822-E826 HydrophobicContact CG-CG 4.33Å; R822-E826 VanDerWaalsContact CG-OE1 3.28Å; R822-E826 WeakPolarHBondContact CG-OE1 3.5Å; R822-E826 IonicContact CZ-OE1 2.77Å; R822-E826 IonicContact NE-OE1 2.73Å; R822-E826 PolarHBondContact NE-OE1 3.24Å; R822-E826 IonicContact NH2-OE1 2.83Å; R822-E826 WeakPolarHBondContact O-CB 3.48Å; R822-E826 WeakPolarHBondContact O-CG 3.3Å; R822-E826 PolarHBondContact O-N 2.84Å; E826-E829 PolarHBondContact O-N 2.75Å; E826-S830 WeakPolarHBondContact O-CB 3.38Å; E826-S830 PolarHBondContact O-N 3.26Å
827	E	46.4	Very low	40.6	Very low	99 Å²	99	88 Å²	88	46%	0.463	46%	0.456	S	S	.	.	H	α-helix	trans	-65.7	-42.8	174.5	-168.8	-174.7	154.9	0	0	111.6	T823 N824 L825 E829 S830 K831	T823-E827 VanDerWaalsContact O-CB 3.32Å; T823-E827 WeakPolarHBondContact O-CB 3.36Å; T823-E827 PolarHBondContact O-N 3.45Å; N824-E827 PolarHBondContact O-N 3.41Å; L825-E827 VanDerWaalsContact C-N 3.31Å; L825-E827 PolarHBondContact O-N 2.91Å; E827-E829 VanDerWaalsContact C-N 3.33Å; E827-E829 PolarHBondContact O-N 2.9Å; E827-S830 PolarHBondContact O-N 3.44Å; E827-S830 PolarHBondContact O-OG 3.38Å; E827-K831 WeakPolarHBondContact O-CG 3.35Å; E827-K831 PolarHBondContact O-N 3.37Å; E827-K831 VanDerWaalsContact OE1-CE 3.28Å; E827-K831 WeakPolarHBondContact OE1-CE 3.28Å; E827-K831 IonicContact OE1-NZ 2.88Å; E827-K831 PolarHBondContact OE1-NZ 3.1Å
828	A	41.5	Very low	39.8	Very low	40 Å²	40	89.9 Å²	89.9	33%	0.331	47%	0.474	S	S	.	.	H	α-helix	trans	-62.3	-40.7	175.7	0	0	0	0	0	111.9	N824 L825 K831 L832	N824-A828 WeakPolarHBondContact O-CB 3.35Å; N824-A828 PolarHBondContact O-N 3.48Å; L825-A828 PolarHBondContact O-N 2.85Å; A828-K831 PolarHBondContact O-N 2.95Å; A828-L832 WeakPolarHBondContact O-CG 3.46Å; A828-L832 PolarHBondContact O-N 2.69Å; A828-L832 VanDerWaalsContact O-N 3.15Å
829	E	42.2	Very low	38.8	Very low	47 Å²	47	98.4 Å²	98.4	22%	0.22	50%	0.504	C	S	.	.	H	α-helix	trans	-67.1	-40.8	175.5	-172.4	178.8	168	0	0	112.2	S634 S636 L825 E826 E827 K831 L832 T833	S634-E829 PolarHBondContact OG-OE2 2.97Å; S636-E829 WeakPolarHBondContact CB-OE1 3.41Å; S636-E829 WeakPolarHBondContact OG-CG 3.31Å; S636-E829 PolarHBondContact OG-OE1 3.4Å; S636-E829 PolarHBondContact OG-OE2 3.04Å; L825-E829 WeakPolarHBondContact O-CB 3.42Å; L825-E829 PolarHBondContact O-N 3.31Å; E826-E829 PolarHBondContact O-N 2.75Å; E827-E829 VanDerWaalsContact C-N 3.33Å; E827-E829 PolarHBondContact O-N 2.9Å; E829-K831 VanDerWaalsContact C-N 3.27Å; E829-K831 PolarHBondContact O-N 3.42Å; E829-L832 PolarHBondContact O-N 2.78Å; E829-L832 VanDerWaalsContact O-N 3.1Å; E829-T833 HydrophobicContact CG-CG2 4.49Å; E829-T833 WeakPolarHBondContact O-CG2 3.45Å; E829-T833 PolarHBondContact O-N 3.19Å; E829-T833 PolarHBondContact O-OG1 2.95Å
830	S	48.5	Very low	37.9	Very low	52 Å²	52	99.4 Å²	99.4	36%	0.364	52%	0.518	S	S	.	.	H	α-helix	trans	-59.8	-41	174.9	76.5	0	0	0	0	111.3	E826 E827 L832 T833 T834	E826-S830 WeakPolarHBondContact O-CB 3.38Å; E826-S830 PolarHBondContact O-N 3.26Å; E827-S830 PolarHBondContact O-N 3.44Å; E827-S830 PolarHBondContact O-OG 3.38Å; S830-L832 VanDerWaalsContact C-N 3.3Å; S830-L832 PolarHBondContact O-N 2.83Å; S830-T833 WeakPolarHBondContact CA-OG1 3.49Å; S830-T833 PolarHBondContact O-N 3.36Å; S830-T833 PolarHBondContact O-OG1 2.73Å; S830-T834 PolarHBondContact O-N 3.07Å; S830-T834 PolarHBondContact O-OG1 3.4Å
831	K	43.4	Very low	37.1	Very low	122 Å²	122	102.4 Å²	102.4	53%	0.53	54%	0.537	S	S	.	.	H	α-helix	trans	-65.2	-32.6	176.3	-72.1	170.5	-175.3	163.7	0	112.4	E827 A828 E829	E827-K831 WeakPolarHBondContact O-CG 3.35Å; E827-K831 PolarHBondContact O-N 3.37Å; E827-K831 VanDerWaalsContact OE1-CE 3.28Å; E827-K831 WeakPolarHBondContact OE1-CE 3.28Å; E827-K831 IonicContact OE1-NZ 2.88Å; E827-K831 PolarHBondContact OE1-NZ 3.1Å; A828-K831 PolarHBondContact O-N 2.95Å; E829-K831 VanDerWaalsContact C-N 3.27Å; E829-K831 PolarHBondContact O-N 3.42Å
832	L	38.7	Very low	36.3	Very low	101 Å²	101	101.7 Å²	101.7	53%	0.529	54%	0.54	S	S	.	.	H	α-helix	trans	-76.2	-31.5	176	-73.7	164.7	0	0	0	113	A828 E829 S830	A828-L832 WeakPolarHBondContact O-CG 3.46Å; A828-L832 PolarHBondContact O-N 2.69Å; A828-L832 VanDerWaalsContact O-N 3.15Å; E829-L832 PolarHBondContact O-N 2.78Å; E829-L832 VanDerWaalsContact O-N 3.1Å; S830-L832 VanDerWaalsContact C-N 3.3Å; S830-L832 PolarHBondContact O-N 2.83Å
833	T	39.6	Very low	35.5	Very low	86 Å²	86	101.5 Å²	101.5	53%	0.528	56%	0.559	S	S	.	*	H	α-helix	trans	-90.1	-24.5	-176.2	51.3	0	0	0	0	114	E829 S830 D835	E829-T833 HydrophobicContact CG-CG2 4.49Å; E829-T833 WeakPolarHBondContact O-CG2 3.45Å; E829-T833 PolarHBondContact O-N 3.19Å; E829-T833 PolarHBondContact O-OG1 2.95Å; S830-T833 WeakPolarHBondContact CA-OG1 3.49Å; S830-T833 PolarHBondContact O-N 3.36Å; S830-T833 PolarHBondContact O-OG1 2.73Å; T833-D835 VanDerWaalsContact C-N 3.28Å; T833-D835 PolarHBondContact O-N 2.82Å
834	T	35.5	Very low	34.5	Very low	102 Å²	102	104.9 Å²	104.9	63%	0.626	58%	0.579	S	S	*	*			trans	-78.8	-3.7	179.4	47.9	0	0	0	0	115.2	S830 N836	S830-T834 PolarHBondContact O-N 3.07Å; S830-T834 PolarHBondContact O-OG1 3.4Å; T834-N836 PolarHBondContact O-N 2.95Å
835	D	31.6	Very low	33.7	Very low	105 Å²	105	109.3 Å²	109.3	56%	0.561	59%	0.594	S	S	*	*			trans	-77.7	53.7	170.2	-75.5	-13	0	0	0	111.2	T833 Y837	T833-D835 VanDerWaalsContact C-N 3.28Å; T833-D835 PolarHBondContact O-N 2.82Å; D835-Y837 HydrophobicContact CB-CD2 4.35Å; D835-Y837 HydrophobicContact CB-CE2 4.07Å; D835-Y837 WeakPolarHBondContact O-CD2 3.25Å; D835-Y837 PolarHBondContact O-N 3Å
836	N	27.4	Very low	32.7	Very low	146 Å²	146	112.4 Å²	112.4	78%	0.781	62%	0.615	S	S	*	*			trans	-69.3	88.4	154.3	-88.6	-31.9	0	0	0	107	T834 S838	T834-N836 PolarHBondContact O-N 2.95Å; N836-S838 VanDerWaalsContact C-N 3.27Å; N836-S838 PolarHBondContact O-N 2.89Å
837	Y	27.2	Very low	31.7	Very low	181 Å²	181	114.6 Å²	114.6	71%	0.71	63%	0.63	S	S	*	*			trans	-54.9	85.4	171.1	-78.7	-86.6	0	0	0	110.8	D835 Y839	D835-Y837 HydrophobicContact CB-CD2 4.35Å; D835-Y837 HydrophobicContact CB-CE2 4.07Å; D835-Y837 WeakPolarHBondContact O-CD2 3.25Å; D835-Y837 PolarHBondContact O-N 3Å; Y837-Y839 PolarHBondContact O-N 2.94Å
838	S	24.6	Very low	30.7	Very low	102 Å²	102	118.4 Å²	118.4	71%	0.713	65%	0.65	S	S	*	*			trans	-72.4	105.6	160.9	58.4	0	0	0	0	107.4	N836 S840	N836-S838 VanDerWaalsContact C-N 3.27Å; N836-S838 PolarHBondContact O-N 2.89Å; S838-S840 PolarHBondContact O-N 3.39Å
839	Y	23.1	Very low	30	Very low	221 Å²	221	124.8 Å²	124.8	87%	0.867	68%	0.677	S	S	*	*			trans	-46.8	98	167.5	-97.3	-96.1	0	0	0	109.6	Y837	Y837-Y839 PolarHBondContact O-N 2.94Å
840	S	24.6	Very low	29.1	Very low	100 Å²	100	129.5 Å²	129.5	70%	0.699	70%	0.703	S	S	*	*			trans	-122	110.7	157.7	56	0	0	0	0	105.7	S838 G842	S838-S840 PolarHBondContact O-N 3.39Å; S840-G842 VanDerWaalsContact C-N 3.3Å; S840-G842 PolarHBondContact O-N 3.08Å
841	N	25.1	Very low	28.1	Very low	167 Å²	167	136.1 Å²	136.1	89%	0.893	73%	0.725	S	S	*	*			trans	-56.9	93.3	176.3	-78.2	-22.3	0	0	0	109.3
842	G	24.3	Very low	27.2	Very low	54 Å²	54	133.8 Å²	133.8	56%	0.557	73%	0.725	S	S	*	*			trans	-166.1	97.3	174.5	0	0	0	0	0	107.2	S840 V844	S840-G842 VanDerWaalsContact C-N 3.3Å; S840-G842 PolarHBondContact O-N 3.08Å; G842-V844 VanDerWaalsContact C-N 3.34Å; G842-V844 PolarHBondContact O-N 3.41Å
843	S	24.5	Very low	26.8	Very low	125 Å²	125	134 Å²	134	87%	0.874	73%	0.734	S	S	*	*			trans	-60.1	87.5	-175.7	60.2	0	0	0	0	111.7
844	V	23.5	Very low	26.4	Very low	134 Å²	134	133.3 Å²	133.3	81%	0.812	73%	0.726	S	S	*	*			trans	-94.2	110.5	168.1	-178.2	0	0	0	0	107.5	G842 T846	G842-V844 VanDerWaalsContact C-N 3.34Å; G842-V844 PolarHBondContact O-N 3.41Å; V844-T846 PolarHBondContact O-N 2.89Å
845	K	24	Very low	26	Very low	178 Å²	178	135.4 Å²	135.4	77%	0.774	73%	0.733	S	S	*	*			trans	-46.3	112.7	-177.2	-67.6	173.2	175.5	177.5	0	111.9	D847	K845-D847 PolarHBondContact O-N 2.83Å
846	T	24.3	Very low	26	Very low	111 Å²	111	133.7 Å²	133.7	68%	0.681	73%	0.73	S	S	*	*			trans	-73.2	35.6	170.6	39.5	0	0	0	0	112.7	V844	V844-T846 PolarHBondContact O-N 2.89Å
847	D	26.1	Very low	26.5	Very low	134 Å²	134	129.8 Å²	129.8	72%	0.717	71%	0.706	S	S	*	*			trans	-89.4	-0.4	-179.9	-81.2	-25.6	0	0	0	113.5	K845	K845-D847 PolarHBondContact O-N 2.83Å
848	M	25.7	Very low	26.8	Very low	179 Å²	179	123.7 Å²	123.7	88%	0.882	69%	0.69	S	S	*	*	S	Bend	trans	-109.6	-6.1	-170	-110.4	-170.2	173.4	0	0	118.1
849	L	26.7	Very low	27.3	Very low	173 Å²	173	122.7 Å²	122.7	91%	0.906	68%	0.677	S	S	*	*	S	Bend	trans	-116.8	-2.2	-176.4	-76.9	171.2	0	0	0	116.1
850	L	23.3	Very low	29	Very low	146 Å²	146	113.5 Å²	113.5	76%	0.764	65%	0.645	S	S	*	*			trans	-134.7	52.3	175.3	-75.4	163.1	0	0	0	110.3	S852	L850-S852 PolarHBondContact O-N 3.07Å
851	K	26	Very low	30.6	Very low	191 Å²	191	111.6 Å²	111.6	83%	0.83	63%	0.626	S	S	*	*			trans	-60.4	98	147.8	-89.6	-174.1	178.2	-179.1	0	104.8	C853	K851-C853 PolarHBondContact O-N 2.71Å; K851-C853 VanDerWaalsContact O-N 3.1Å
852	S	26.1	Very low	32	Very low	74 Å²	74	104.7 Å²	104.7	52%	0.517	59%	0.591	S	S	.	*			trans	-11	108.6	164.3	44	0	0	0	0	110.7	L850 D854	L850-S852 PolarHBondContact O-N 3.07Å; S852-D854 VanDerWaalsContact CB-OD1 3.31Å; S852-D854 WeakPolarHBondContact CB-OD1 3.44Å; S852-D854 PolarHBondContact O-N 2.67Å; S852-D854 PolarHBondContact OG-OD1 3.33Å
853	C	29.8	Very low	34	Very low	106 Å²	106	108 Å²	108	72%	0.716	59%	0.59	S	S	*	*			trans	-54.4	90.4	145.2	-80.4	0	0	0	0	103.9	K851 L855	K851-C853 PolarHBondContact O-N 2.71Å; K851-C853 VanDerWaalsContact O-N 3.1Å; C853-L855 PolarHBondContact O-N 3.47Å; C853-L855 VanDerWaalsContact O-N 3.07Å
854	D	30.5	Very low	35.9	Very low	70 Å²	70	102.1 Å²	102.1	37%	0.374	55%	0.549	S	S	.	.			trans	-58.9	121.2	-165.6	-69.5	-44.6	0	0	0	106.6	S852 S856 Q857	S852-D854 VanDerWaalsContact CB-OD1 3.31Å; S852-D854 WeakPolarHBondContact CB-OD1 3.44Å; S852-D854 PolarHBondContact O-N 2.67Å; S852-D854 PolarHBondContact OG-OD1 3.33Å; D854-S856 WeakPolarHBondContact CB-OG 3.44Å; D854-S856 PolarHBondContact O-N 3.1Å; D854-Q857 HydrophobicContact CB-CG 4.36Å; D854-Q857 WeakPolarHBondContact O-CB 3.35Å; D854-Q857 PolarHBondContact O-N 2.83Å
855	L	28.6	Very low	37.9	Very low	147 Å²	147	96.9 Å²	96.9	77%	0.77	52%	0.517	S	S	*	.	H	α-helix	trans	-49.2	-20.8	165.8	-93.7	90.8	0	0	0	111.5	C853 Q857 L859	C853-L855 PolarHBondContact O-N 3.47Å; C853-L855 VanDerWaalsContact O-N 3.07Å; L855-Q857 PolarHBondContact O-N 3.32Å; L855-L859 PolarHBondContact O-N 3.16Å
856	S	31.3	Very low	39.7	Very low	69 Å²	69	91.2 Å²	91.2	48%	0.483	50%	0.495	S	S	.	.	H	α-helix	trans	-57.7	-29.5	171.2	80.6	0	0	0	0	113.9	D854 S860	D854-S856 WeakPolarHBondContact CB-OG 3.44Å; D854-S856 PolarHBondContact O-N 3.1Å; S856-S860 WeakPolarHBondContact O-CB 3.47Å; S856-S860 PolarHBondContact O-N 3.46Å; S856-S860 PolarHBondContact O-OG 3.48Å
857	Q	36.7	Very low	41.8	Very low	63 Å²	63	86.9 Å²	86.9	29%	0.294	47%	0.468	S	S	.	.	H	α-helix	trans	-75.5	-40.9	-177.1	-67.7	-173.7	18.7	0	0	112.7	D854 L855 S860 L861	D854-Q857 HydrophobicContact CB-CG 4.36Å; D854-Q857 WeakPolarHBondContact O-CB 3.35Å; D854-Q857 PolarHBondContact O-N 2.83Å; L855-Q857 PolarHBondContact O-N 3.32Å; Q857-S860 VanDerWaalsContact CA-OG 3.32Å; Q857-S860 WeakPolarHBondContact CA-OG 3.12Å; Q857-S860 PolarHBondContact O-N 3.37Å; Q857-S860 VanDerWaalsContact O-N 3.14Å; Q857-S860 PolarHBondContact O-OG 3.15Å; Q857-L861 PolarHBondContact O-N 3.19Å; Q857-L861 VanDerWaalsContact O-N 3.09Å
858	S	33.7	Very low	43.8	Very low	53 Å²	53	80.5 Å²	80.5	37%	0.371	43%	0.434	S	S	.	.	H	α-helix	trans	-67.9	-41.4	176.2	102.2	0	0	0	0	110.8	S860 L861 S862	S858-S860 PolarHBondContact O-N 2.96Å; S858-L861 PolarHBondContact O-N 3.33Å; S858-L861 VanDerWaalsContact O-N 3.12Å; S858-S862 PolarHBondContact O-N 3.37Å
859	L	34.6	Very low	45.6	Very low	82 Å²	82	74.1 Å²	74.1	43%	0.429	40%	0.403	S	S	.	.	H	α-helix	trans	-59.9	-26.7	171.5	-116.1	84.2	0	0	0	112.9	L855 S862 K863	L855-L859 PolarHBondContact O-N 3.16Å; L859-S862 PolarHBondContact O-OG 2.87Å; L859-S862 VanDerWaalsContact O-OG 3.08Å; L859-K863 WeakPolarHBondContact O-CD 3.47Å; L859-K863 VanDerWaalsContact O-CG 3.29Å; L859-K863 WeakPolarHBondContact O-CG 3.38Å; L859-K863 PolarHBondContact O-N 3.2Å
860	S	59.5	Low	47.4	Very low	28 Å²	28	75.3 Å²	75.3	20%	0.196	40%	0.396	C	S	.	.	H	α-helix	trans	-81.9	-29.2	177.4	69.5	0	0	0	0	113.3	S856 Q857 S858 C864 F929	S856-S860 WeakPolarHBondContact O-CB 3.47Å; S856-S860 PolarHBondContact O-N 3.46Å; S856-S860 PolarHBondContact O-OG 3.48Å; Q857-S860 VanDerWaalsContact CA-OG 3.32Å; Q857-S860 WeakPolarHBondContact CA-OG 3.12Å; Q857-S860 PolarHBondContact O-N 3.37Å; Q857-S860 VanDerWaalsContact O-N 3.14Å; Q857-S860 PolarHBondContact O-OG 3.15Å; S858-S860 PolarHBondContact O-N 2.96Å; S860-C864 VanDerWaalsContact O-CB 3.23Å; S860-C864 WeakPolarHBondContact O-CB 3.24Å; S860-C864 PolarHBondContact O-N 3.45Å; S860-F929 WeakPolarHBondContact OG-CD2 3.48Å; S860-F929 WeakPolarHBondContact OG-CE2 3.5Å
861	L	58.6	Low	49.4	Very low	60 Å²	60	69 Å²	69	31%	0.314	36%	0.364	S	S	.	.	H	α-helix	trans	-70.4	-44.1	174.8	-177.8	61.8	0	0	0	111.1	Q857 S858 K863 C864 V865 L889 F929	Q857-L861 PolarHBondContact O-N 3.19Å; Q857-L861 VanDerWaalsContact O-N 3.09Å; S858-L861 PolarHBondContact O-N 3.33Å; S858-L861 VanDerWaalsContact O-N 3.12Å; L861-K863 PolarHBondContact O-N 2.96Å; L861-C864 WeakPolarHBondContact O-CB 3.41Å; L861-C864 PolarHBondContact O-N 3.5Å; L861-C864 VanDerWaalsContact O-N 3.15Å; L861-V865 HydrophobicContact CD1-CG2 4.25Å; L861-V865 HydrophobicContact CG-CG2 4.44Å; L861-V865 WeakPolarHBondContact O-CG2 3.31Å; L861-V865 PolarHBondContact O-N 3.43Å; L861-L889 HydrophobicContact CD1-CD1 3.77Å; L861-F929 HydrophobicContact CB-CE1 4.34Å; L861-F929 HydrophobicContact CB-CE2 4.47Å; L861-F929 HydrophobicContact CB-CZ 3.73Å; L861-F929 HydrophobicContact CD1-CE1 3.64Å; L861-F929 HydrophobicContact CD1-CZ 3.68Å; L861-F929 HydrophobicContact CG-CZ 4.29Å
862	S	55.5	Low	51.1	Low	22 Å²	22	60.4 Å²	60.4	15%	0.154	33%	0.329	C	S	.	.	H	α-helix	trans	-59.7	-46.7	176.8	64.1	0	0	0	0	111.7	S858 L859 C864 V865 N866	S858-S862 PolarHBondContact O-N 3.37Å; L859-S862 PolarHBondContact O-OG 2.87Å; L859-S862 VanDerWaalsContact O-OG 3.08Å; S862-C864 VanDerWaalsContact C-N 3.33Å; S862-C864 PolarHBondContact O-N 2.91Å; S862-V865 PolarHBondContact O-N 2.88Å; S862-N866 WeakPolarHBondContact O-CB 3.45Å; S862-N866 VanDerWaalsContact O-CG 3.32Å; S862-N866 PolarHBondContact O-N 3.22Å
863	K	64.3	Low	52.8	Low	124 Å²	124	57.5 Å²	57.5	54%	0.539	31%	0.308	S	S	.	.	H	α-helix	trans	-59.4	-43.2	173.4	-73	176.3	-175.9	179.8	0	111.9	L859 L861 N866 D867	L859-K863 WeakPolarHBondContact O-CD 3.47Å; L859-K863 VanDerWaalsContact O-CG 3.29Å; L859-K863 WeakPolarHBondContact O-CG 3.38Å; L859-K863 PolarHBondContact O-N 3.2Å; L861-K863 PolarHBondContact O-N 2.96Å; K863-N866 PolarHBondContact O-N 2.95Å; K863-D867 WeakPolarHBondContact O-CB 3.39Å; K863-D867 PolarHBondContact O-N 3.07Å
864	C	65.5	Low	53.9	Low	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.2	-50.3	176.1	177.9	0	0	0	0	111.2	S860 L861 S862 N866 D867 L868 T926 F929	S860-C864 VanDerWaalsContact O-CB 3.23Å; S860-C864 WeakPolarHBondContact O-CB 3.24Å; S860-C864 PolarHBondContact O-N 3.45Å; L861-C864 WeakPolarHBondContact O-CB 3.41Å; L861-C864 PolarHBondContact O-N 3.5Å; L861-C864 VanDerWaalsContact O-N 3.15Å; S862-C864 VanDerWaalsContact C-N 3.33Å; S862-C864 PolarHBondContact O-N 2.91Å; C864-N866 PolarHBondContact O-N 2.85Å; C864-D867 PolarHBondContact O-N 3.34Å; C864-L868 WeakPolarHBondContact O-CG 3.28Å; C864-L868 PolarHBondContact O-N 2.85Å; C864-T926 HydrophobicContact CB-CG2 4.29Å; C864-F929 HydrophobicContact CB-CD1 3.58Å; C864-F929 HydrophobicContact CB-CE1 3.82Å; C864-F929 HydrophobicContact CB-CG 4.41Å
865	V	64.5	Low	55.1	Low	24 Å²	24	51.6 Å²	51.6	15%	0.145	27%	0.272	C	S	.	.	H	α-helix	trans	-60.5	-46.5	179.3	168.1	0	0	0	0	110.7	L861 S862 D867 L868 N869 L884 L889	L861-V865 HydrophobicContact CD1-CG2 4.25Å; L861-V865 HydrophobicContact CG-CG2 4.44Å; L861-V865 WeakPolarHBondContact O-CG2 3.31Å; L861-V865 PolarHBondContact O-N 3.43Å; S862-V865 PolarHBondContact O-N 2.88Å; V865-D867 VanDerWaalsContact C-N 3.31Å; V865-D867 PolarHBondContact O-N 3.49Å; V865-L868 PolarHBondContact O-N 2.73Å; V865-N869 WeakPolarHBondContact O-CB 3.36Å; V865-N869 PolarHBondContact O-N 2.88Å; V865-N869 PolarHBondContact O-OD1 3.43Å; V865-L884 HydrophobicContact CB-CD2 4.37Å; V865-L884 HydrophobicContact CG1-CD2 3.75Å; V865-L884 HydrophobicContact CG2-CD2 4.28Å; V865-L889 HydrophobicContact CG2-CD1 4.47Å
866	N	63.6	Low	56.1	Low	59 Å²	59	47.5 Å²	47.5	32%	0.316	25%	0.251	S	S	.	.	H	α-helix	trans	-62.9	-38	177.8	-71.6	-8.5	0	0	0	112.3	S862 K863 C864 N869 R870	S862-N866 WeakPolarHBondContact O-CB 3.45Å; S862-N866 VanDerWaalsContact O-CG 3.32Å; S862-N866 PolarHBondContact O-N 3.22Å; K863-N866 PolarHBondContact O-N 2.95Å; C864-N866 PolarHBondContact O-N 2.85Å; N866-N869 PolarHBondContact O-N 3Å; N866-R870 WeakPolarHBondContact O-CB 3.44Å; N866-R870 VanDerWaalsContact O-CG 3.22Å; N866-R870 WeakPolarHBondContact O-CG 3.41Å; N866-R870 PolarHBondContact O-N 3.1Å
867	D	66.9	Low	56.9	Low	21 Å²	21	45.5 Å²	45.5	11%	0.112	24%	0.236	C	C	.	.	H	α-helix	trans	-68.4	-37.8	176.2	-156.3	35.4	0	0	0	111.8	K863 C864 V865 R870 C871 S923 T926	K863-D867 WeakPolarHBondContact O-CB 3.39Å; K863-D867 PolarHBondContact O-N 3.07Å; C864-D867 PolarHBondContact O-N 3.34Å; V865-D867 VanDerWaalsContact C-N 3.31Å; V865-D867 PolarHBondContact O-N 3.49Å; D867-R870 PolarHBondContact O-N 3.23Å; D867-C871 PolarHBondContact O-N 3.13Å; D867-C871 PolarHBondContact O-SG 3.4Å; D867-S923 WeakPolarHBondContact OD2-CB 3.37Å; D867-S923 PolarHBondContact OD2-N 3.34Å; D867-S923 PolarHBondContact OD2-OG 3.37Å; D867-T926 HydrophobicContact CB-CG2 4.46Å; D867-T926 WeakPolarHBondContact CB-OG1 3.39Å; D867-T926 VanDerWaalsContact OD2-CB 3.23Å; D867-T926 WeakPolarHBondContact OD2-CB 3.43Å; D867-T926 PolarHBondContact OD2-OG1 2.71Å
868	L	68.3	Low	57.3	Low	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-67.1	-40.6	173.3	-64.4	169.1	0	0	0	111.7	C864 V865 C871 G872 I873 L884 L892 L922	C864-L868 WeakPolarHBondContact O-CG 3.28Å; C864-L868 PolarHBondContact O-N 2.85Å; V865-L868 PolarHBondContact O-N 2.73Å; L868-C871 WeakPolarHBondContact O-CB 3.41Å; L868-C871 PolarHBondContact O-N 2.83Å; L868-G872 PolarHBondContact O-N 3.32Å; L868-I873 HydrophobicContact CB-CD1 4.1Å; L868-I873 HydrophobicContact CD2-CD1 3.39Å; L868-I873 HydrophobicContact CG-CD1 4.3Å; L868-I873 PolarHBondContact O-N 3.12Å; L868-L884 HydrophobicContact CB-CD1 3.94Å; L868-L884 HydrophobicContact CD1-CD1 4.04Å; L868-L892 HydrophobicContact CD1-CD1 4.32Å; L868-L892 HydrophobicContact CD2-CD1 3.55Å; L868-L922 HydrophobicContact CD2-CD2 3.51Å
869	N	64.6	Low	58.2	Low	44 Å²	44	50.3 Å²	50.3	24%	0.235	26%	0.256	C	S	.	.	H	α-helix	trans	-63.4	-43.5	174.8	-68.7	-7.5	0	0	0	111.2	V865 N866 C871 G872 H880	V865-N869 WeakPolarHBondContact O-CB 3.36Å; V865-N869 PolarHBondContact O-N 2.88Å; V865-N869 PolarHBondContact O-OD1 3.43Å; N866-N869 PolarHBondContact O-N 3Å; N869-C871 PolarHBondContact O-N 3.3Å; N869-G872 WeakPolarHBondContact O-CA 3.32Å; N869-G872 PolarHBondContact O-N 3.02Å; N869-H880 PolarHBondContact OD1-CE1 3.26Å; N869-H880 PolarHBondContact OD1-NE2 2.71Å
870	R	64.6	Low	59.1	Low	198 Å²	198	47.7 Å²	47.7	75%	0.747	24%	0.242	S	C	*	.	H	α-helix	trans	-61.6	-32.2	174.3	-76.4	172	-175.1	179.7	1.5	112.8	N866 D867 G872	N866-R870 WeakPolarHBondContact O-CB 3.44Å; N866-R870 VanDerWaalsContact O-CG 3.22Å; N866-R870 WeakPolarHBondContact O-CG 3.41Å; N866-R870 PolarHBondContact O-N 3.1Å; D867-R870 PolarHBondContact O-N 3.23Å; R870-G872 PolarHBondContact O-N 3.36Å
871	C	65	Low	58.8	Low	14 Å²	14	50.4 Å²	50.4	10%	0.095	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-4.7	172.7	-66.7	0	0	0	0	112.9	R587 D867 L868 N869 I873 L920	R587-C871 PolarHBondContact NH2-O 3.1Å; D867-C871 PolarHBondContact O-N 3.13Å; D867-C871 PolarHBondContact O-SG 3.4Å; L868-C871 WeakPolarHBondContact O-CB 3.41Å; L868-C871 PolarHBondContact O-N 2.83Å; N869-C871 PolarHBondContact O-N 3.3Å; C871-I873 VanDerWaalsContact C-N 3.31Å; C871-I873 HydrophobicContact CB-CG1 4.23Å; C871-L920 HydrophobicContact CB-CD1 3.63Å
872	G	61.1	Low	58.5	Low	10 Å²	10	50.1 Å²	50.1	10%	0.103	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	26.7	-178.6	0	0	0	0	0	113.2	L868 N869 R870 G874	L868-G872 PolarHBondContact O-N 3.32Å; N869-G872 WeakPolarHBondContact O-CA 3.32Å; N869-G872 PolarHBondContact O-N 3.02Å; R870-G872 PolarHBondContact O-N 3.36Å; G872-G874 PolarHBondContact O-N 2.95Å
873	I	61.6	Low	58.7	Low	14 Å²	14	50 Å²	50	7%	0.072	25%	0.248	C	C	.	.	S	Bend	trans	-71.8	121.3	172.4	-57.4	-175.3	0	0	0	107.4	L868 C871 T875 H880 L884 Y888 L892 L920	L868-I873 HydrophobicContact CB-CD1 4.1Å; L868-I873 HydrophobicContact CD2-CD1 3.39Å; L868-I873 HydrophobicContact CG-CD1 4.3Å; L868-I873 PolarHBondContact O-N 3.12Å; C871-I873 VanDerWaalsContact C-N 3.31Å; C871-I873 HydrophobicContact CB-CG1 4.23Å; I873-T875 PolarHBondContact O-N 3.49Å; I873-H880 PolarHBondContact O-CE1 3.44Å; I873-H880 PolarHBondContact O-ND1 2.87Å; I873-L884 HydrophobicContact CB-CD1 4.36Å; I873-L884 HydrophobicContact CG2-CD1 4.04Å; I873-Y888 HydrophobicContact CG2-CD1 3.32Å; I873-Y888 HydrophobicContact CG2-CD2 3.62Å; I873-Y888 HydrophobicContact CG2-CE1 3.52Å; I873-Y888 HydrophobicContact CG2-CE2 3.8Å; I873-Y888 HydrophobicContact CG2-CG 3.37Å; I873-L892 HydrophobicContact CD1-CD1 4.04Å; I873-L920 HydrophobicContact CD1-CD1 3.28Å; I873-L920 HydrophobicContact CD1-CD2 4.05Å; I873-L920 HydrophobicContact CD1-CG 4.23Å; I873-L920 HydrophobicContact CG1-CD1 3.33Å
874	G	53.9	Low	58.5	Low	5 Å²	5	44.3 Å²	44.3	5%	0.052	22%	0.223	C	C	.	.	S	Bend	trans	72.4	-7.2	170	0	0	0	0	0	116.4	G872 N876 C877 H880	G872-G874 PolarHBondContact O-N 2.95Å; G874-N876 PolarHBondContact O-N 3.39Å; G874-C877 PolarHBondContact O-N 3.5Å; G874-C877 PolarHBondContact O-SG 2.79Å; G874-H880 WeakPolarHBondContact CA-ND1 3.39Å; G874-H880 WeakPolarHBondContact O-CB 3.38Å; G874-H880 VanDerWaalsContact O-CG 3.3Å; G874-H880 PolarHBondContact O-ND1 2.93Å
875	T	54.4	Low	58	Low	47 Å²	47	46.5 Å²	46.5	29%	0.288	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-10.7	-171.5	55.3	0	0	0	0	115	I873 H880	I873-T875 PolarHBondContact O-N 3.49Å; T875-H880 PolarHBondContact N-ND1 3.33Å
876	N	50.4	Low	57.5	Low	60 Å²	60	46.3 Å²	46.3	32%	0.321	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	12.1	-176.2	-69	-5.1	0	0	0	113.8	S567 G874	S567-N876 PolarHBondContact OG-ND2 3.21Å; G874-N876 PolarHBondContact O-N 3.39Å
877	C	48.6	Very low	57.4	Low	27 Å²	27	47.6 Å²	47.6	18%	0.182	25%	0.248	C	C	.	.	S	Bend	trans	-115.5	148.6	175.6	63.5	0	0	0	0	113.6	W594 G874 D879 H880 T883	W594-C877 HydrophobicContact CH2-CB 3.72Å; W594-C877 HydrophobicContact CZ3-CB 4.4Å; G874-C877 PolarHBondContact O-N 3.5Å; G874-C877 PolarHBondContact O-SG 2.79Å; C877-D879 PolarHBondContact O-N 3.43Å; C877-D879 VanDerWaalsContact O-N 3.07Å; C877-H880 PolarHBondContact O-N 2.95Å; C877-H880 VanDerWaalsContact O-N 3.15Å; C877-H880 WeakPolarHBondContact SG-CA 3.41Å; C877-H880 PolarHBondContact SG-N 3.44Å; C877-T883 PolarHBondContact SG-OG1 2.91Å
878	H	45.3	Very low	57.4	Low	122 Å²	122	49.5 Å²	49.5	57%	0.565	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-22.6	176.3	-72.7	-65.4	0	0	0	112.9	D160	D160-H878 IonicContact OD1-CE1 3.71Å; D160-H878 PolarHBondContact OD1-CE1 2.95Å; D160-H878 IonicContact OD1-NE2 3.92Å; D160-H878 PolarHBondContact OD1-NE2 3.49Å
879	D	50.8	Low	57.3	Low	95 Å²	95	50.3 Å²	50.3	51%	0.508	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	38.5	-179.5	-73	-13.3	0	0	0	112.2	C877 L881 K882 T883	C877-D879 PolarHBondContact O-N 3.43Å; C877-D879 VanDerWaalsContact O-N 3.07Å; D879-L881 VanDerWaalsContact C-N 3.3Å; D879-L881 PolarHBondContact O-N 3.07Å; D879-K882 HydrophobicContact CB-CB 4.03Å; D879-K882 HydrophobicContact CB-CD 4.42Å; D879-K882 WeakPolarHBondContact O-CA 2.89Å; D879-K882 VanDerWaalsContact O-CB 3.29Å; D879-K882 WeakPolarHBondContact O-CB 3.4Å; D879-K882 PolarHBondContact O-N 3.01Å; D879-T883 PolarHBondContact O-N 2.87Å; D879-T883 PolarHBondContact O-OG1 3.14Å
880	H	54.7	Low	57.2	Low	28 Å²	28	49.6 Å²	49.6	13%	0.13	26%	0.256	C	S	.	.	H	α-helix	trans	-47.3	-47.9	-175.6	172.2	37.4	0	0	0	114	N869 I873 G874 T875 C877 K882 T883 L884	N869-H880 PolarHBondContact OD1-CE1 3.26Å; N869-H880 PolarHBondContact OD1-NE2 2.71Å; I873-H880 PolarHBondContact O-CE1 3.44Å; I873-H880 PolarHBondContact O-ND1 2.87Å; G874-H880 WeakPolarHBondContact CA-ND1 3.39Å; G874-H880 WeakPolarHBondContact O-CB 3.38Å; G874-H880 VanDerWaalsContact O-CG 3.3Å; G874-H880 PolarHBondContact O-ND1 2.93Å; T875-H880 PolarHBondContact N-ND1 3.33Å; C877-H880 PolarHBondContact O-N 2.95Å; C877-H880 VanDerWaalsContact O-N 3.15Å; C877-H880 WeakPolarHBondContact SG-CA 3.41Å; C877-H880 PolarHBondContact SG-N 3.44Å; H880-K882 VanDerWaalsContact C-N 3.28Å; H880-K882 PolarHBondContact O-N 2.93Å; H880-T883 PolarHBondContact O-N 2.73Å; H880-L884 VanDerWaalsContact O-CB 3.26Å; H880-L884 WeakPolarHBondContact O-CB 2.97Å; H880-L884 PolarHBondContact O-N 3.5Å
881	L	51.8	Low	57.3	Low	84 Å²	84	45 Å²	45	44%	0.44	25%	0.245	S	C	.	.	H	α-helix	trans	-61.6	-37	179.4	-67.1	175	0	0	0	112.4	D879 A885	D879-L881 VanDerWaalsContact C-N 3.3Å; D879-L881 PolarHBondContact O-N 3.07Å; L881-A885 WeakPolarHBondContact O-CB 3.17Å; L881-A885 PolarHBondContact O-N 3.28Å
882	K	53.7	Low	57.6	Low	55 Å²	55	44.9 Å²	44.9	24%	0.239	24%	0.244	C	C	.	.	H	α-helix	trans	-66.2	-50.1	175.4	177	171.6	171.5	177.8	0	111	L723 D727 D879 H880 L884 A885 C886	L723-K882 HydrophobicContact CD2-CB 3.35Å; L723-K882 HydrophobicContact CD2-CD 3.87Å; L723-K882 HydrophobicContact CD2-CG 3.44Å; L723-K882 VanDerWaalsContact CD2-CG 3.44Å; D727-K882 WeakPolarHBondContact OD1-CE 3.18Å; D727-K882 IonicContact OD1-NZ 3.71Å; D727-K882 PolarHBondContact OD1-NZ 2.91Å; D727-K882 VanDerWaalsContact OD2-CE 3.29Å; D727-K882 WeakPolarHBondContact OD2-CE 2.91Å; D727-K882 IonicContact OD2-NZ 3.67Å; D727-K882 PolarHBondContact OD2-NZ 3.44Å; D879-K882 HydrophobicContact CB-CB 4.03Å; D879-K882 HydrophobicContact CB-CD 4.42Å; D879-K882 WeakPolarHBondContact O-CA 2.89Å; D879-K882 VanDerWaalsContact O-CB 3.29Å; D879-K882 WeakPolarHBondContact O-CB 3.4Å; D879-K882 PolarHBondContact O-N 3.01Å; H880-K882 VanDerWaalsContact C-N 3.28Å; H880-K882 PolarHBondContact O-N 2.93Å; K882-L884 VanDerWaalsContact C-N 3.31Å; K882-L884 PolarHBondContact O-N 2.71Å; K882-A885 PolarHBondContact O-N 2.94Å; K882-C886 WeakPolarHBondContact O-CB 3.47Å; K882-C886 PolarHBondContact O-N 2.88Å; K882-C886 PolarHBondContact O-SG 3.25Å
883	T	58.6	Low	58.1	Low	20 Å²	20	46.6 Å²	46.6	12%	0.123	25%	0.247	C	C	.	.	H	α-helix	trans	-62.6	-41	178.6	-48.6	0	0	0	0	110.9	W594 C877 D879 H880 D887 Y888	W594-T883 HydrophobicContact CZ2-CG2 4.46Å; C877-T883 PolarHBondContact SG-OG1 2.91Å; D879-T883 PolarHBondContact O-N 2.87Å; D879-T883 PolarHBondContact O-OG1 3.14Å; H880-T883 PolarHBondContact O-N 2.73Å; T883-D887 HydrophobicContact CG2-CB 4.47Å; T883-D887 WeakPolarHBondContact O-CB 3.4Å; T883-D887 PolarHBondContact O-N 3.02Å; T883-Y888 HydrophobicContact CG2-CD2 3.9Å; T883-Y888 HydrophobicContact CG2-CE2 3.59Å; T883-Y888 PolarHBondContact O-N 2.92Å
884	L	59.6	Low	58.3	Low	3 Å²	3	50.3 Å²	50.3	2%	0.016	27%	0.266	C	S	.	.	I	π-helix	trans	-61.1	-46.9	176.5	-171	72.8	0	0	0	111.6	V865 L868 I873 H880 K882 L889	V865-L884 HydrophobicContact CB-CD2 4.37Å; V865-L884 HydrophobicContact CG1-CD2 3.75Å; V865-L884 HydrophobicContact CG2-CD2 4.28Å; L868-L884 HydrophobicContact CB-CD1 3.94Å; L868-L884 HydrophobicContact CD1-CD1 4.04Å; I873-L884 HydrophobicContact CB-CD1 4.36Å; I873-L884 HydrophobicContact CG2-CD1 4.04Å; H880-L884 VanDerWaalsContact O-CB 3.26Å; H880-L884 WeakPolarHBondContact O-CB 2.97Å; H880-L884 PolarHBondContact O-N 3.5Å; K882-L884 VanDerWaalsContact C-N 3.31Å; K882-L884 PolarHBondContact O-N 2.71Å; L884-L889 WeakPolarHBondContact O-CB 2.88Å; L884-L889 PolarHBondContact O-N 3.19Å
885	A	55.1	Low	59	Low	46 Å²	46	53.2 Å²	53.2	38%	0.38	28%	0.28	S	S	.	.	I	π-helix	trans	-75.7	-42.3	-176.6	0	0	0	0	0	113.6	L881 K882 P890	L881-A885 WeakPolarHBondContact O-CB 3.17Å; L881-A885 PolarHBondContact O-N 3.28Å; K882-A885 PolarHBondContact O-N 2.94Å; A885-P890 VanDerWaalsContact O-CD 3.25Å; A885-P890 WeakPolarHBondContact O-CD 3.48Å; A885-P890 WeakPolarHBondContact O-CG 3.49Å
886	C	55.9	Low	59.9	Low	20 Å²	20	51 Å²	51	14%	0.135	27%	0.267	C	S	.	.	I	π-helix	trans	-83.7	-31.5	-173.7	-67.1	0	0	0	0	113.2	S731 K882	S731-C886 PolarHBondContact OG-O 3.08Å; K882-C886 WeakPolarHBondContact O-CB 3.47Å; K882-C886 PolarHBondContact O-N 2.88Å; K882-C886 PolarHBondContact O-SG 3.25Å
887	D	60.2	Low	60.8	Low	87 Å²	87	49.6 Å²	49.6	47%	0.465	26%	0.262	S	S	.	.	I	π-helix	trans	-116.7	-59.6	-171.4	-55.1	-43.5	0	0	0	112.5	T883 I891	T883-D887 HydrophobicContact CG2-CB 4.47Å; T883-D887 WeakPolarHBondContact O-CB 3.4Å; T883-D887 PolarHBondContact O-N 3.02Å; D887-I891 WeakPolarHBondContact O-CD1 3.5Å; D887-I891 VanDerWaalsContact O-CG1 3.25Å; D887-I891 WeakPolarHBondContact O-CG1 3.16Å; D887-I891 PolarHBondContact O-N 2.98Å
888	Y	66.7	Low	61.7	Low	61 Å²	61	49.6 Å²	49.6	24%	0.239	27%	0.267	C	S	.	.	I	π-helix	trans	-69.8	-53.9	-171.1	-74.3	-76.7	0	0	0	113.1	I873 T883 I891 L892	I873-Y888 HydrophobicContact CG2-CD1 3.32Å; I873-Y888 HydrophobicContact CG2-CD2 3.62Å; I873-Y888 HydrophobicContact CG2-CE1 3.52Å; I873-Y888 HydrophobicContact CG2-CE2 3.8Å; I873-Y888 HydrophobicContact CG2-CG 3.37Å; T883-Y888 HydrophobicContact CG2-CD2 3.9Å; T883-Y888 HydrophobicContact CG2-CE2 3.59Å; T883-Y888 PolarHBondContact O-N 2.92Å; Y888-I891 PolarHBondContact O-N 3.16Å; Y888-L892 WeakPolarHBondContact O-CB 3.39Å; Y888-L892 VanDerWaalsContact O-CG 3.23Å; Y888-L892 WeakPolarHBondContact O-CG 3.41Å; Y888-L892 PolarHBondContact O-N 3.38Å
889	L	66.9	Low	62.8	Low	17 Å²	17	44.2 Å²	44.2	9%	0.089	24%	0.242	C	C	.	.	H	α-helix	trans	-60.8	-43.1	-173.9	-169.6	155.8	0	0	0	112.2	L861 V865 L884 L892 R893	L861-L889 HydrophobicContact CD1-CD1 3.77Å; V865-L889 HydrophobicContact CG2-CD1 4.47Å; L884-L889 WeakPolarHBondContact O-CB 2.88Å; L884-L889 PolarHBondContact O-N 3.19Å; L889-L892 PolarHBondContact O-N 2.89Å; L889-R893 HydrophobicContact CD2-CG 4.2Å; L889-R893 WeakPolarHBondContact O-CB 3.29Å; L889-R893 WeakPolarHBondContact O-CG 3.34Å; L889-R893 PolarHBondContact O-N 2.85Å
890	P	63	Low	63.7	Low	28 Å²	28	42.8 Å²	42.8	18%	0.182	23%	0.234	C	C	.	.	H	α-helix	trans	-61.6	-44.8	174	-25.2	36.2	0	0	0	113.5	A885 R893 L894	A885-P890 VanDerWaalsContact O-CD 3.25Å; A885-P890 WeakPolarHBondContact O-CD 3.48Å; A885-P890 WeakPolarHBondContact O-CG 3.49Å; P890-R893 PolarHBondContact O-N 3.45Å; P890-L894 PolarHBondContact O-N 3.24Å
891	I	66.4	Low	64.2	Low	102 Å²	102	44.9 Å²	44.9	52%	0.523	25%	0.252	S	S	.	.	H	α-helix	trans	-65.5	-44.5	179.3	-67.3	171.3	0	0	0	110.4	D887 Y888 R893 L894 L895	D887-I891 WeakPolarHBondContact O-CD1 3.5Å; D887-I891 VanDerWaalsContact O-CG1 3.25Å; D887-I891 WeakPolarHBondContact O-CG1 3.16Å; D887-I891 PolarHBondContact O-N 2.98Å; Y888-I891 PolarHBondContact O-N 3.16Å; I891-R893 VanDerWaalsContact C-N 3.3Å; I891-R893 PolarHBondContact O-N 3.3Å; I891-L894 PolarHBondContact O-N 3.46Å; I891-L895 HydrophobicContact CG2-CD1 4Å; I891-L895 HydrophobicContact CG2-CG 4.37Å; I891-L895 WeakPolarHBondContact O-CB 3.45Å; I891-L895 WeakPolarHBondContact O-CG 3.44Å; I891-L895 PolarHBondContact O-N 3.22Å
892	L	71.5	Confident	64.8	Low	12 Å²	12	46.9 Å²	46.9	6%	0.063	25%	0.254	C	S	.	.	H	α-helix	trans	-60.7	-40.6	177.3	-72.8	172.8	0	0	0	111.6	L868 I873 Y888 L889 L895 A896 F915 L920 L930	L868-L892 HydrophobicContact CD1-CD1 4.32Å; L868-L892 HydrophobicContact CD2-CD1 3.55Å; I873-L892 HydrophobicContact CD1-CD1 4.04Å; Y888-L892 WeakPolarHBondContact O-CB 3.39Å; Y888-L892 VanDerWaalsContact O-CG 3.23Å; Y888-L892 WeakPolarHBondContact O-CG 3.41Å; Y888-L892 PolarHBondContact O-N 3.38Å; L889-L892 PolarHBondContact O-N 2.89Å; L892-L895 PolarHBondContact O-N 3.43Å; L892-A896 WeakPolarHBondContact O-CB 3.38Å; L892-A896 PolarHBondContact O-N 3.43Å; L892-F915 HydrophobicContact CD2-CD1 4.45Å; L892-F915 HydrophobicContact CD2-CE1 3.52Å; L892-F915 HydrophobicContact CD2-CZ 3.68Å; L892-L920 HydrophobicContact CD2-CD2 4.08Å; L892-L930 HydrophobicContact CB-CD1 4.13Å; L892-L930 HydrophobicContact CB-CD2 4.02Å
893	R	71.3	Confident	65.4	Low	46 Å²	46	48.3 Å²	48.3	17%	0.174	26%	0.261	C	S	.	.	H	α-helix	trans	-65.3	-43.1	173.7	-78.1	-174.6	172.7	173.1	-2.8	112.6	L889 P890 I891 L895 A896 S897 L930	L889-R893 HydrophobicContact CD2-CG 4.2Å; L889-R893 WeakPolarHBondContact O-CB 3.29Å; L889-R893 WeakPolarHBondContact O-CG 3.34Å; L889-R893 PolarHBondContact O-N 2.85Å; P890-R893 PolarHBondContact O-N 3.45Å; I891-R893 VanDerWaalsContact C-N 3.3Å; I891-R893 PolarHBondContact O-N 3.3Å; R893-L895 VanDerWaalsContact C-N 3.32Å; R893-L895 PolarHBondContact O-N 2.65Å; R893-A896 PolarHBondContact O-N 3.37Å; R893-S897 VanDerWaalsContact O-CB 3.23Å; R893-S897 WeakPolarHBondContact O-CB 3.33Å; R893-S897 PolarHBondContact O-N 2.97Å; R893-S897 PolarHBondContact O-OG 2.94Å; R893-L930 WeakPolarHBondContact CA-O 3.36Å; R893-L930 HydrophobicContact CG-CB 4.46Å; R893-L930 HydrophobicContact CG-CD2 3.66Å
894	L	65.5	Low	65.8	Low	92 Å²	92	53.8 Å²	53.8	48%	0.482	29%	0.288	S	S	.	.	H	α-helix	trans	-61.4	-43.3	176.9	-178.4	65.3	0	0	0	111.2	P890 I891 S897 G898	P890-L894 PolarHBondContact O-N 3.24Å; I891-L894 PolarHBondContact O-N 3.46Å; L894-S897 PolarHBondContact O-OG 3.1Å; L894-G898 WeakPolarHBondContact O-CA 3.41Å; L894-G898 PolarHBondContact O-N 3.15Å
895	L	69.5	Low	65.8	Low	65 Å²	65	59.8 Å²	59.8	34%	0.34	33%	0.325	S	S	.	.	H	α-helix	trans	-65.1	-47.1	176.4	-70.4	174.3	0	0	0	111.8	I891 L892 R893 E899 F911 F915	I891-L895 HydrophobicContact CG2-CD1 4Å; I891-L895 HydrophobicContact CG2-CG 4.37Å; I891-L895 WeakPolarHBondContact O-CB 3.45Å; I891-L895 WeakPolarHBondContact O-CG 3.44Å; I891-L895 PolarHBondContact O-N 3.22Å; L892-L895 PolarHBondContact O-N 3.43Å; R893-L895 VanDerWaalsContact C-N 3.32Å; R893-L895 PolarHBondContact O-N 2.65Å; L895-E899 VanDerWaalsContact O-CB 3.26Å; L895-E899 WeakPolarHBondContact O-CB 3.48Å; L895-E899 PolarHBondContact O-N 3.27Å; L895-F911 HydrophobicContact CB-CE1 3.89Å; L895-F911 HydrophobicContact CD1-CE1 4.03Å; L895-F911 HydrophobicContact CD1-CZ 4.09Å; L895-F911 HydrophobicContact CD2-CE1 3.98Å; L895-F911 HydrophobicContact CD2-CZ 3.86Å; L895-F911 HydrophobicContact CG-CE1 4.19Å; L895-F911 HydrophobicContact CG-CZ 4.4Å; L895-F915 HydrophobicContact CB-CZ 4.41Å; L895-F915 HydrophobicContact CD1-CE1 4.46Å
896	A	73.2	Confident	65.8	Low	2 Å²	2	59.6 Å²	59.6	2%	0.017	32%	0.32	C	S	.	.	H	α-helix	trans	-68.5	-45.5	-178.3	0	0	0	0	0	112.6	L892 R893 E899 N900 L930	L892-A896 WeakPolarHBondContact O-CB 3.38Å; L892-A896 PolarHBondContact O-N 3.43Å; R893-A896 PolarHBondContact O-N 3.37Å; A896-E899 PolarHBondContact O-N 3.4Å; A896-N900 WeakPolarHBondContact O-CB 3.36Å; A896-N900 PolarHBondContact O-N 3.38Å; A896-L930 HydrophobicContact CB-CB 3.64Å; A896-L930 WeakPolarHBondContact CB-O 3.23Å
897	S	68.6	Low	65.8	Low	30 Å²	30	64 Å²	64	21%	0.21	35%	0.347	C	S	.	.	H	α-helix	trans	-66.1	-42.2	176.2	60.6	0	0	0	0	112	R893 L894 E899 N900 S901	R893-S897 VanDerWaalsContact O-CB 3.23Å; R893-S897 WeakPolarHBondContact O-CB 3.33Å; R893-S897 PolarHBondContact O-N 2.97Å; R893-S897 PolarHBondContact O-OG 2.94Å; L894-S897 PolarHBondContact O-OG 3.1Å; S897-E899 VanDerWaalsContact C-N 3.32Å; S897-E899 PolarHBondContact O-N 2.89Å; S897-N900 PolarHBondContact O-N 2.8Å; S897-S901 PolarHBondContact O-N 2.84Å; S897-S901 PolarHBondContact O-OG 2.84Å
898	G	67	Low	65.3	Low	27 Å²	27	66.2 Å²	66.2	28%	0.278	35%	0.353	S	S	.	.	H	α-helix	trans	-62.4	-38.9	174.7	0	0	0	0	0	112.2	L894 R902	L894-G898 WeakPolarHBondContact O-CA 3.41Å; L894-G898 PolarHBondContact O-N 3.15Å; G898-R902 WeakPolarHBondContact O-CB 3.45Å; G898-R902 WeakPolarHBondContact O-CG 3.43Å; G898-R902 PolarHBondContact O-N 3.4Å
899	E	69.6	Low	64.5	Low	9 Å²	9	70.5 Å²	70.5	4%	0.042	37%	0.368	C	S	.	.	H	α-helix	trans	-68.9	-42.1	174	-177.5	62.6	177.8	0	0	112	L895 A896 S897 S901 R902 Q903 R910 F911 L912	L895-E899 VanDerWaalsContact O-CB 3.26Å; L895-E899 WeakPolarHBondContact O-CB 3.48Å; L895-E899 PolarHBondContact O-N 3.27Å; A896-E899 PolarHBondContact O-N 3.4Å; S897-E899 VanDerWaalsContact C-N 3.32Å; S897-E899 PolarHBondContact O-N 2.89Å; E899-S901 VanDerWaalsContact C-N 3.35Å; E899-S901 PolarHBondContact O-N 2.99Å; E899-R902 CarbonylContact O-C 3.53Å; E899-R902 WeakPolarHBondContact O-CB 3.16Å; E899-R902 PolarHBondContact O-N 3.18Å; E899-R902 VanDerWaalsContact O-N 3.09Å; E899-Q903 HydrophobicContact CG-CG 4.41Å; E899-Q903 WeakPolarHBondContact O-CG 3.47Å; E899-Q903 PolarHBondContact O-N 3.25Å; E899-R910 PolarHBondContact OE1-N 3.11Å; E899-F911 HydrophobicContact CB-CB 4.2Å; E899-F911 HydrophobicContact CG-CB 3.73Å; E899-F911 PolarHBondContact OE1-N 3.48Å; E899-F911 VanDerWaalsContact OE2-CB 3.23Å; E899-F911 WeakPolarHBondContact OE2-CB 3.36Å; E899-L912 HydrophobicContact CG-CG 4.21Å
900	N	69.6	Low	64.2	Low	64 Å²	64	70.4 Å²	70.4	34%	0.342	37%	0.367	S	S	.	.	H	α-helix	trans	-59.9	-45.4	177	-166.9	21.7	0	0	0	111.4	A896 S897 R902 Q903 I904	A896-N900 WeakPolarHBondContact O-CB 3.36Å; A896-N900 PolarHBondContact O-N 3.38Å; S897-N900 PolarHBondContact O-N 2.8Å; N900-R902 VanDerWaalsContact C-N 3.31Å; N900-R902 PolarHBondContact O-N 3.05Å; N900-Q903 PolarHBondContact O-N 2.91Å; N900-I904 WeakPolarHBondContact O-CG1 3.45Å; N900-I904 PolarHBondContact O-N 2.81Å
901	S	65.6	Low	64.1	Low	73 Å²	73	72.1 Å²	72.1	51%	0.51	37%	0.371	S	S	.	.	H	α-helix	trans	-60.6	-39	173.2	-67.6	0	0	0	0	112.6	S897 E899 I904 V905	S897-S901 PolarHBondContact O-N 2.84Å; S897-S901 PolarHBondContact O-OG 2.84Å; E899-S901 VanDerWaalsContact C-N 3.35Å; E899-S901 PolarHBondContact O-N 2.99Å; S901-I904 PolarHBondContact O-N 2.96Å; S901-V905 PolarHBondContact O-N 2.91Å
902	R	64.5	Low	63.8	Low	126 Å²	126	69.3 Å²	69.3	48%	0.475	36%	0.357	S	S	.	.	H	α-helix	trans	-68.5	-36.3	176.2	-74.2	170.5	-168.6	-84.3	3.2	112.6	G898 E899 N900 I904 V905 S906	G898-R902 WeakPolarHBondContact O-CB 3.45Å; G898-R902 WeakPolarHBondContact O-CG 3.43Å; G898-R902 PolarHBondContact O-N 3.4Å; E899-R902 CarbonylContact O-C 3.53Å; E899-R902 WeakPolarHBondContact O-CB 3.16Å; E899-R902 PolarHBondContact O-N 3.18Å; E899-R902 VanDerWaalsContact O-N 3.09Å; N900-R902 VanDerWaalsContact C-N 3.31Å; N900-R902 PolarHBondContact O-N 3.05Å; R902-I904 VanDerWaalsContact C-N 3.3Å; R902-I904 PolarHBondContact O-N 3.23Å; R902-V905 PolarHBondContact O-N 3.4Å; R902-S906 CarbonylContact O-C 3.55Å; R902-S906 WeakPolarHBondContact O-CA 3.48Å; R902-S906 PolarHBondContact O-N 3.11Å; R902-S906 VanDerWaalsContact O-O 3.11Å
903	Q	66	Low	63.4	Low	84 Å²	84	70.7 Å²	70.7	39%	0.393	36%	0.363	S	S	.	.	H	α-helix	trans	-64	-36.9	177.2	-75.8	179.2	10	0	0	111.7	E899 N900 V905	E899-Q903 HydrophobicContact CG-CG 4.41Å; E899-Q903 WeakPolarHBondContact O-CG 3.47Å; E899-Q903 PolarHBondContact O-N 3.25Å; N900-Q903 PolarHBondContact O-N 2.91Å; Q903-V905 VanDerWaalsContact C-N 3.33Å; Q903-V905 PolarHBondContact O-N 3.36Å
904	I	65.5	Low	63.1	Low	136 Å²	136	72 Å²	72	70%	0.697	37%	0.369	S	S	*	.	H	α-helix	trans	-61.9	-41.7	175.1	-63.4	165.6	0	0	0	111	N900 S901 R902	N900-I904 WeakPolarHBondContact O-CG1 3.45Å; N900-I904 PolarHBondContact O-N 2.81Å; S901-I904 PolarHBondContact O-N 2.96Å; R902-I904 VanDerWaalsContact C-N 3.3Å; R902-I904 PolarHBondContact O-N 3.23Å
905	V	61.1	Low	63	Low	129 Å²	129	67.9 Å²	67.9	78%	0.782	35%	0.347	S	S	*	.	H	α-helix	trans	-86.6	-30.7	-175.9	-179.7	0	0	0	0	112.6	S901 R902 Q903	S901-V905 PolarHBondContact O-N 2.91Å; R902-V905 PolarHBondContact O-N 3.4Å; Q903-V905 VanDerWaalsContact C-N 3.33Å; Q903-V905 PolarHBondContact O-N 3.36Å
906	S	55.2	Low	62.7	Low	41 Å²	41	66 Å²	66	29%	0.287	34%	0.337	S	S	.	.			trans	-147.9	115	-174.2	-163.8	0	0	0	0	111.4	R902 K908	R902-S906 CarbonylContact O-C 3.55Å; R902-S906 WeakPolarHBondContact O-CA 3.48Å; R902-S906 PolarHBondContact O-N 3.11Å; R902-S906 VanDerWaalsContact O-O 3.11Å; S906-K908 PolarHBondContact O-N 2.89Å; S906-K908 WeakPolarHBondContact OG-CB 3.22Å
907	T	54.2	Low	61.8	Low	114 Å²	114	67.9 Å²	67.9	70%	0.699	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	1.7	168.6	53.2	0	0	0	0	114.1
908	K	49.4	Very low	61.4	Low	133 Å²	133	70.7 Å²	70.7	58%	0.578	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-27.6	-170.6	-65.8	-176.3	177.8	178.2	0	114.5	S906	S906-K908 PolarHBondContact O-N 2.89Å; S906-K908 WeakPolarHBondContact OG-CB 3.22Å
909	R	50.4	Low	61	Low	151 Å²	151	70.1 Å²	70.1	57%	0.57	35%	0.347	S	S	*	.			trans	-100.3	138.5	-174.2	-70.6	-170.1	-179.6	-169.1	0.6	111.1
910	R	61	Low	60.8	Low	14 Å²	14	70.4 Å²	70.4	5%	0.053	35%	0.349	C	S	.	.			trans	-132.3	38.3	-157.2	-66.3	163.2	175.6	-156.7	-2.2	110	P392 S394 F490 S492 D493 E899 L912 H913	P392-R910 WeakPolarHBondContact O-CD 3.44Å; P392-R910 PolarHBondContact O-NH1 3.19Å; S394-R910 PolarHBondContact O-NH1 3.28Å; F490-R910 HydrophobicContact CD1-CG 4.16Å; F490-R910 HydrophobicContact CD2-CG 4.1Å; F490-R910 HydrophobicContact CE1-CB 4.03Å; F490-R910 HydrophobicContact CE1-CG 3.92Å; F490-R910 HydrophobicContact CE2-CB 4.03Å; F490-R910 HydrophobicContact CE2-CG 3.84Å; F490-R910 HydrophobicContact CG-CG 4.24Å; F490-R910 HydrophobicContact CZ-CB 3.62Å; F490-R910 HydrophobicContact CZ-CG 3.75Å; S492-R910 PolarHBondContact OG-NH2 3.16Å; D493-R910 IonicContact OD1-CZ 3.95Å; D493-R910 IonicContact OD1-NH1 3.04Å; D493-R910 PolarHBondContact OD1-NH1 3.32Å; D493-R910 IonicContact OD1-NH2 3.28Å; D493-R910 PolarHBondContact OD1-NH2 3.39Å; D493-R910 IonicContact OD2-CZ 3.18Å; D493-R910 VanDerWaalsContact OD2-CZ 3.28Å; D493-R910 IonicContact OD2-NH1 3.55Å; D493-R910 PolarHBondContact OD2-NH1 3.3Å; D493-R910 IonicContact OD2-NH2 2.71Å; D493-R910 PolarHBondContact OD2-NH2 3.24Å; E899-R910 PolarHBondContact OE1-N 3.11Å; R910-L912 PolarHBondContact O-N 3.15Å; R910-H913 PolarHBondContact O-N 3.29Å
911	F	61.3	Low	60.6	Low	65 Å²	65	72 Å²	72	29%	0.285	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-34.1	-167.2	-171.6	-95.6	0	0	0	113.2	L895 E899 H913 Y914 F915	L895-F911 HydrophobicContact CB-CE1 3.89Å; L895-F911 HydrophobicContact CD1-CE1 4.03Å; L895-F911 HydrophobicContact CD1-CZ 4.09Å; L895-F911 HydrophobicContact CD2-CE1 3.98Å; L895-F911 HydrophobicContact CD2-CZ 3.86Å; L895-F911 HydrophobicContact CG-CE1 4.19Å; L895-F911 HydrophobicContact CG-CZ 4.4Å; E899-F911 HydrophobicContact CB-CB 4.2Å; E899-F911 HydrophobicContact CG-CB 3.73Å; E899-F911 PolarHBondContact OE1-N 3.48Å; E899-F911 VanDerWaalsContact OE2-CB 3.23Å; E899-F911 WeakPolarHBondContact OE2-CB 3.36Å; F911-H913 PolarHBondContact O-N 3.04Å; F911-H913 VanDerWaalsContact O-N 3.09Å; F911-Y914 HydrophobicContact CD2-CD2 4.13Å; F911-Y914 HydrophobicContact CD2-CG 4.42Å; F911-Y914 WeakPolarHBondContact O-CA 3.34Å; F911-Y914 VanDerWaalsContact O-CB 3.23Å; F911-Y914 WeakPolarHBondContact O-CB 3.37Å; F911-Y914 PolarHBondContact O-N 2.72Å; F911-F915 HydrophobicContact CE1-CE1 4.33Å; F911-F915 HydrophobicContact CE1-CZ 4.24Å
912	L	60.9	Low	60.9	Low	43 Å²	43	68.8 Å²	68.8	23%	0.225	33%	0.33	C	S	.	.	H	α-helix	trans	-59.8	-26.6	-178.5	-72.2	174	0	0	0	113.4	E899 R910 Y914 F915	E899-L912 HydrophobicContact CG-CG 4.21Å; R910-L912 PolarHBondContact O-N 3.15Å; L912-Y914 PolarHBondContact O-N 3.49Å; L912-F915 HydrophobicContact CD2-CD2 3.98Å; L912-F915 HydrophobicContact CD2-CE2 3.81Å; L912-F915 PolarHBondContact O-N 2.91Å
913	H	62.5	Low	61.2	Low	41 Å²	41	64.3 Å²	64.3	19%	0.19	32%	0.318	C	S	.	.	H	α-helix	trans	-69	-19.9	173.1	-172.7	-83	0	0	0	112.9	E485 V488 F490 R910 F911 F915 D916 R917	E485-H913 IonicContact OE2-CE1 2.76Å; V488-H913 WeakPolarHBondContact CG1-CD2 3.49Å; V488-H913 VanDerWaalsContact CG1-CE1 3.43Å; V488-H913 WeakPolarHBondContact CG1-CE1 3.14Å; V488-H913 WeakPolarHBondContact CG1-NE2 3.19Å; V488-H913 WeakPolarHBondContact CG2-CE1 3.24Å; V488-H913 WeakPolarHBondContact CG2-NE2 3.43Å; F490-H913 HydrophobicContact CZ-CB 4.01Å; R910-H913 PolarHBondContact O-N 3.29Å; F911-H913 PolarHBondContact O-N 3.04Å; F911-H913 VanDerWaalsContact O-N 3.09Å; H913-F915 VanDerWaalsContact C-N 3.26Å; H913-F915 PolarHBondContact O-N 3.26Å; H913-D916 IonicContact CD2-OD2 2.77Å; H913-D916 WeakPolarHBondContact O-CB 3.48Å; H913-D916 PolarHBondContact O-N 3.44Å; H913-R917 PolarHBondContact O-N 3.33Å; H913-R917 VanDerWaalsContact O-N 3.15Å
914	Y	63.6	Low	61.4	Low	73 Å²	73	65.5 Å²	65.5	29%	0.286	33%	0.333	S	S	.	.	H	α-helix	trans	-69.1	-25.3	174.7	-76.3	-97.7	0	0	0	112.8	S393 F911 L912 D916 R917 I918	S393-Y914 VanDerWaalsContact CB-OH 3.26Å; S393-Y914 WeakPolarHBondContact CB-OH 3.46Å; S393-Y914 PolarHBondContact OG-OH 3.4Å; F911-Y914 HydrophobicContact CD2-CD2 4.13Å; F911-Y914 HydrophobicContact CD2-CG 4.42Å; F911-Y914 WeakPolarHBondContact O-CA 3.34Å; F911-Y914 VanDerWaalsContact O-CB 3.23Å; F911-Y914 WeakPolarHBondContact O-CB 3.37Å; F911-Y914 PolarHBondContact O-N 2.72Å; L912-Y914 PolarHBondContact O-N 3.49Å; Y914-D916 VanDerWaalsContact C-N 3.31Å; Y914-R917 WeakPolarHBondContact O-CA 3.46Å; Y914-R917 VanDerWaalsContact O-CB 3.25Å; Y914-R917 WeakPolarHBondContact O-CB 3.43Å; Y914-R917 PolarHBondContact O-N 3.37Å; Y914-R917 VanDerWaalsContact O-N 3.12Å; Y914-I918 PolarHBondContact O-N 3.35Å
915	F	64.8	Low	61.6	Low	6 Å²	6	62.4 Å²	62.4	3%	0.026	32%	0.324	C	S	.	.	H	α-helix	trans	-61.9	-44.1	171.2	-69	-41.4	0	0	0	110.5	L892 L895 F911 L912 H913 R917 I918 S919 L920 L922	L892-F915 HydrophobicContact CD2-CD1 4.45Å; L892-F915 HydrophobicContact CD2-CE1 3.52Å; L892-F915 HydrophobicContact CD2-CZ 3.68Å; L895-F915 HydrophobicContact CB-CZ 4.41Å; L895-F915 HydrophobicContact CD1-CE1 4.46Å; F911-F915 HydrophobicContact CE1-CE1 4.33Å; F911-F915 HydrophobicContact CE1-CZ 4.24Å; L912-F915 HydrophobicContact CD2-CD2 3.98Å; L912-F915 HydrophobicContact CD2-CE2 3.81Å; L912-F915 PolarHBondContact O-N 2.91Å; H913-F915 VanDerWaalsContact C-N 3.26Å; H913-F915 PolarHBondContact O-N 3.26Å; F915-R917 PolarHBondContact O-N 3.43Å; F915-I918 HydrophobicContact CD1-CD1 4.36Å; F915-I918 WeakPolarHBondContact O-CG1 3.45Å; F915-I918 PolarHBondContact O-N 3.11Å; F915-I918 VanDerWaalsContact O-N 3.17Å; F915-S919 PolarHBondContact O-N 2.51Å; F915-L920 CarbonylContact C-O 3.48Å; F915-L920 HydrophobicContact CB-CB 4.22Å; F915-L920 HydrophobicContact CB-CD2 4.38Å; F915-L920 WeakPolarHBondContact CB-O 3.44Å; F915-L920 HydrophobicContact CD1-CD2 3.69Å; F915-L920 HydrophobicContact CE1-CD2 4.19Å; F915-L920 HydrophobicContact CG-CD2 4.17Å; F915-L920 CarbonylContact O-C 3.6Å; F915-L920 WeakPolarHBondContact O-CA 3.39Å; F915-L920 WeakPolarHBondContact O-CB 3.44Å; F915-L920 PolarHBondContact O-N 3.18Å; F915-L922 HydrophobicContact CD2-CD1 4.03Å; F915-L922 HydrophobicContact CE2-CD1 4.19Å; F915-L922 HydrophobicContact CG-CD1 4.39Å
916	D	62.2	Low	62.2	Low	25 Å²	25	56.4 Å²	56.4	13%	0.134	29%	0.287	C	S	.	.	H	α-helix	trans	-60.6	-35.5	173.6	-53.8	-41.7	0	0	0	111.1	H913 Y914 I918 S919 F921 R927	H913-D916 IonicContact CD2-OD2 2.77Å; H913-D916 WeakPolarHBondContact O-CB 3.48Å; H913-D916 PolarHBondContact O-N 3.44Å; Y914-D916 VanDerWaalsContact C-N 3.31Å; D916-I918 VanDerWaalsContact C-N 3.3Å; D916-I918 PolarHBondContact O-N 2.93Å; D916-S919 PolarHBondContact O-N 2.97Å; D916-S919 VanDerWaalsContact O-N 3.08Å; D916-F921 HydrophobicContact CB-CD1 4.29Å; D916-F921 HydrophobicContact CB-CE1 3.95Å; D916-F921 WeakPolarHBondContact OD1-CD1 3.46Å; D916-R927 IonicContact OD1-CZ 3.26Å; D916-R927 IonicContact OD1-NH1 2.66Å; D916-R927 IonicContact OD1-NH2 2.72Å; D916-R927 PolarHBondContact OD1-NH2 3.32Å; D916-R927 IonicContact OD2-CZ 3.77Å; D916-R927 IonicContact OD2-NH1 2.93Å; D916-R927 PolarHBondContact OD2-NH1 2.88Å; D916-R927 IonicContact OD2-NH2 2.87Å
917	R	55.2	Low	63	Low	42 Å²	42	57 Å²	57	16%	0.158	28%	0.283	C	S	.	.	H	α-helix	trans	-67	-23.4	179.1	-147.3	-174.4	-159.6	-152.3	-2.9	115.1	D484 E485 R586 H913 Y914 F915	D484-R917 IonicContact OD2-CZ 3.9Å; D484-R917 IonicContact OD2-NH2 3.4Å; D484-R917 PolarHBondContact OD2-NH2 3.44Å; E485-R917 IonicContact OE1-CZ 2.69Å; E485-R917 VanDerWaalsContact OE1-CZ 3.26Å; E485-R917 IonicContact OE1-NE 2.69Å; E485-R917 PolarHBondContact OE1-NE 3.39Å; E485-R917 IonicContact OE1-NH2 2.88Å; E485-R917 PolarHBondContact OE1-NH2 2.98Å; E485-R917 IonicContact OE2-NE 3.23Å; E485-R917 PolarHBondContact OE2-NE 3.37Å; E485-R917 IonicContact OE2-NH2 3.27Å; R586-R917 PolarHBondContact NH1-O 3.46Å; H913-R917 PolarHBondContact O-N 3.33Å; H913-R917 VanDerWaalsContact O-N 3.15Å; Y914-R917 WeakPolarHBondContact O-CA 3.46Å; Y914-R917 VanDerWaalsContact O-CB 3.25Å; Y914-R917 WeakPolarHBondContact O-CB 3.43Å; Y914-R917 PolarHBondContact O-N 3.37Å; Y914-R917 VanDerWaalsContact O-N 3.12Å; F915-R917 PolarHBondContact O-N 3.43Å
918	I	59.6	Low	63.9	Low	88 Å²	88	57.2 Å²	57.2	45%	0.451	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	15.8	174.5	62.5	168.6	0	0	0	111.9	Y914 F915 D916 L920	Y914-I918 PolarHBondContact O-N 3.35Å; F915-I918 HydrophobicContact CD1-CD1 4.36Å; F915-I918 WeakPolarHBondContact O-CG1 3.45Å; F915-I918 PolarHBondContact O-N 3.11Å; F915-I918 VanDerWaalsContact O-N 3.17Å; D916-I918 VanDerWaalsContact C-N 3.3Å; D916-I918 PolarHBondContact O-N 2.93Å; I918-L920 HydrophobicContact CD1-CB 3.99Å; I918-L920 HydrophobicContact CD1-CD2 4.42Å; I918-L920 HydrophobicContact CG1-CB 3.75Å; I918-L920 PolarHBondContact O-N 3.2Å
919	S	58.2	Low	65	Low	16 Å²	16	51.3 Å²	51.3	11%	0.112	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	28.2	-176.7	-57.8	0	0	0	0	113.3	D584 F915 D916	D584-S919 PolarHBondContact OD2-OG 2.77Å; F915-S919 PolarHBondContact O-N 2.51Å; D916-S919 PolarHBondContact O-N 2.97Å; D916-S919 VanDerWaalsContact O-N 3.08Å
920	L	66.1	Low	66.1	Low	14 Å²	14	44.1 Å²	44.1	7%	0.073	22%	0.223	C	C	.	.			trans	-101	76.5	175.4	-165.4	77.4	0	0	0	110.5	C871 I873 L892 F915 I918 L922	C871-L920 HydrophobicContact CB-CD1 3.63Å; I873-L920 HydrophobicContact CD1-CD1 3.28Å; I873-L920 HydrophobicContact CD1-CD2 4.05Å; I873-L920 HydrophobicContact CD1-CG 4.23Å; I873-L920 HydrophobicContact CG1-CD1 3.33Å; L892-L920 HydrophobicContact CD2-CD2 4.08Å; F915-L920 CarbonylContact C-O 3.48Å; F915-L920 HydrophobicContact CB-CB 4.22Å; F915-L920 HydrophobicContact CB-CD2 4.38Å; F915-L920 WeakPolarHBondContact CB-O 3.44Å; F915-L920 HydrophobicContact CD1-CD2 3.69Å; F915-L920 HydrophobicContact CE1-CD2 4.19Å; F915-L920 HydrophobicContact CG-CD2 4.17Å; F915-L920 CarbonylContact O-C 3.6Å; F915-L920 WeakPolarHBondContact O-CA 3.39Å; F915-L920 WeakPolarHBondContact O-CB 3.44Å; F915-L920 PolarHBondContact O-N 3.18Å; I918-L920 HydrophobicContact CD1-CB 3.99Å; I918-L920 HydrophobicContact CD1-CD2 4.42Å; I918-L920 HydrophobicContact CG1-CB 3.75Å; I918-L920 PolarHBondContact O-N 3.2Å; L920-L922 VanDerWaalsContact C-N 3.31Å; L920-L922 HydrophobicContact CD1-CD2 4.38Å; L920-L922 HydrophobicContact CD2-CD1 3.96Å; L920-L922 HydrophobicContact CD2-CD2 4.06Å; L920-L922 HydrophobicContact CD2-CG 3.99Å; L920-L922 HydrophobicContact CG-CD2 3.87Å; L920-L922 HydrophobicContact CG-CG 3.99Å; L920-L922 PolarHBondContact O-N 2.82Å
921	F	66.3	Low	66.6	Low	99 Å²	99	44.6 Å²	44.6	43%	0.434	23%	0.229	S	C	.	.			trans	-78.9	77	-177.7	-63.6	-77	0	0	0	111.8	D916	D916-F921 HydrophobicContact CB-CD1 4.29Å; D916-F921 HydrophobicContact CB-CE1 3.95Å; D916-F921 WeakPolarHBondContact OD1-CD1 3.46Å
922	L	70.7	Confident	66.8	Low	4 Å²	4	45.7 Å²	45.7	2%	0.021	23%	0.234	C	C	.	.			trans	-72.2	134	175.5	-55.8	-179.4	0	0	0	110.6	L868 F915 L920 T926 R927 L930	L868-L922 HydrophobicContact CD2-CD2 3.51Å; F915-L922 HydrophobicContact CD2-CD1 4.03Å; F915-L922 HydrophobicContact CE2-CD1 4.19Å; F915-L922 HydrophobicContact CG-CD1 4.39Å; L920-L922 VanDerWaalsContact C-N 3.31Å; L920-L922 HydrophobicContact CD1-CD2 4.38Å; L920-L922 HydrophobicContact CD2-CD1 3.96Å; L920-L922 HydrophobicContact CD2-CD2 4.06Å; L920-L922 HydrophobicContact CD2-CG 3.99Å; L920-L922 HydrophobicContact CG-CD2 3.87Å; L920-L922 HydrophobicContact CG-CG 3.99Å; L920-L922 PolarHBondContact O-N 2.82Å; L922-T926 HydrophobicContact CB-CG2 4.24Å; L922-T926 HydrophobicContact CD1-CG2 4.48Å; L922-T926 HydrophobicContact CD2-CG2 4.25Å; L922-R927 HydrophobicContact CB-CG 3.89Å; L922-R927 PolarHBondContact O-NE 3.26Å; L922-R927 PolarHBondContact O-NH2 3.47Å; L922-R927 VanDerWaalsContact O-NH2 3.13Å; L922-L930 HydrophobicContact CD1-CD1 3.67Å
923	S	70.3	Confident	66.6	Low	32 Å²	32	49.3 Å²	49.3	22%	0.224	26%	0.262	C	S	.	.			trans	-60.1	153	173.5	68.2	0	0	0	0	111.6	D867 S925 T926 R927	D867-S923 WeakPolarHBondContact OD2-CB 3.37Å; D867-S923 PolarHBondContact OD2-N 3.34Å; D867-S923 PolarHBondContact OD2-OG 3.37Å; S923-S925 PolarHBondContact O-N 3.35Å; S923-S925 PolarHBondContact OG-OG 2.56Å; S923-S925 VanDerWaalsContact OG-OG 3.04Å; S923-T926 WeakPolarHBondContact O-CB 3.33Å; S923-T926 PolarHBondContact O-N 3.26Å; S923-T926 WeakPolarHBondContact OG-CB 3.04Å; S923-T926 PolarHBondContact OG-N 3.02Å; S923-T926 PolarHBondContact OG-OG1 3.07Å; S923-R927 WeakPolarHBondContact O-CG 3.34Å; S923-R927 PolarHBondContact O-N 3.03Å
924	P	70.4	Confident	65.8	Low	110 Å²	110	50.5 Å²	50.5	71%	0.714	28%	0.276	S	S	*	.	H	α-helix	trans	-54.7	-38.6	177.8	-27.1	35.2	0	0	0	113.4	R927 E928	P924-R927 PolarHBondContact O-N 3.44Å; P924-E928 WeakPolarHBondContact O-CB 3.48Å; P924-E928 PolarHBondContact O-N 3.05Å
925	S	69.3	Low	64.4	Low	71 Å²	71	52.6 Å²	52.6	50%	0.497	29%	0.286	S	S	.	.	H	α-helix	trans	-62.5	-41.1	175.4	41.7	0	0	0	0	112.7	S923 E928 F929	S923-S925 PolarHBondContact O-N 3.35Å; S923-S925 PolarHBondContact OG-OG 2.56Å; S923-S925 VanDerWaalsContact OG-OG 3.04Å; S925-E928 PolarHBondContact O-N 2.81Å; S925-F929 WeakPolarHBondContact O-CB 3.39Å; S925-F929 PolarHBondContact O-N 3.38Å
926	T	74.4	Confident	62.7	Low	2 Å²	2	63.6 Å²	63.6	1%	0.012	34%	0.344	C	S	.	.	H	α-helix	trans	-67.5	-42.4	176.5	-62.4	0	0	0	0	110.8	C864 D867 L922 S923 E928 F929 L930	C864-T926 HydrophobicContact CB-CG2 4.29Å; D867-T926 HydrophobicContact CB-CG2 4.46Å; D867-T926 WeakPolarHBondContact CB-OG1 3.39Å; D867-T926 VanDerWaalsContact OD2-CB 3.23Å; D867-T926 WeakPolarHBondContact OD2-CB 3.43Å; D867-T926 PolarHBondContact OD2-OG1 2.71Å; L922-T926 HydrophobicContact CB-CG2 4.24Å; L922-T926 HydrophobicContact CD1-CG2 4.48Å; L922-T926 HydrophobicContact CD2-CG2 4.25Å; S923-T926 WeakPolarHBondContact O-CB 3.33Å; S923-T926 PolarHBondContact O-N 3.26Å; S923-T926 WeakPolarHBondContact OG-CB 3.04Å; S923-T926 PolarHBondContact OG-N 3.02Å; S923-T926 PolarHBondContact OG-OG1 3.07Å; T926-E928 PolarHBondContact O-N 3.43Å; T926-F929 PolarHBondContact O-N 3.34Å; T926-L930 HydrophobicContact CG2-CD1 3.96Å; T926-L930 HydrophobicContact CG2-CG 4.35Å; T926-L930 WeakPolarHBondContact O-CB 3.32Å; T926-L930 VanDerWaalsContact O-CG 3.25Å; T926-L930 WeakPolarHBondContact O-CG 3.47Å; T926-L930 PolarHBondContact O-N 3.36Å
927	R	73.3	Confident	62.8	Low	54 Å²	54	65.6 Å²	65.6	20%	0.204	36%	0.355	C	S	.	.	H	α-helix	trans	-60.5	-45	175.2	-65.5	-179.5	-162.8	-155.1	-4.7	111.6	D916 L922 S923 P924 L930 S931	D916-R927 IonicContact OD1-CZ 3.26Å; D916-R927 IonicContact OD1-NH1 2.66Å; D916-R927 IonicContact OD1-NH2 2.72Å; D916-R927 PolarHBondContact OD1-NH2 3.32Å; D916-R927 IonicContact OD2-CZ 3.77Å; D916-R927 IonicContact OD2-NH1 2.93Å; D916-R927 PolarHBondContact OD2-NH1 2.88Å; D916-R927 IonicContact OD2-NH2 2.87Å; L922-R927 HydrophobicContact CB-CG 3.89Å; L922-R927 PolarHBondContact O-NE 3.26Å; L922-R927 PolarHBondContact O-NH2 3.47Å; L922-R927 VanDerWaalsContact O-NH2 3.13Å; S923-R927 WeakPolarHBondContact O-CG 3.34Å; S923-R927 PolarHBondContact O-N 3.03Å; P924-R927 PolarHBondContact O-N 3.44Å; R927-L930 PolarHBondContact O-N 3.03Å; R927-S931 WeakPolarHBondContact O-CB 3.41Å; R927-S931 PolarHBondContact O-N 3.11Å
928	E	72.9	Confident	63.1	Low	118 Å²	118	66.8 Å²	66.8	55%	0.551	37%	0.365	S	S	*	.	H	α-helix	trans	-62.5	-46.3	177	-168.9	-173.8	158.2	0	0	110.7	P924 S925 T926 L930 S931 K932	P924-E928 WeakPolarHBondContact O-CB 3.48Å; P924-E928 PolarHBondContact O-N 3.05Å; S925-E928 PolarHBondContact O-N 2.81Å; T926-E928 PolarHBondContact O-N 3.43Å; E928-L930 PolarHBondContact O-N 2.95Å; E928-S931 PolarHBondContact O-N 3.31Å; E928-S931 VanDerWaalsContact O-N 3.1Å; E928-S931 PolarHBondContact O-OG 3.29Å; E928-K932 PolarHBondContact O-N 3.2Å
929	F	71.8	Confident	63.3	Low	9 Å²	9	65.6 Å²	65.6	4%	0.039	36%	0.36	C	S	.	.	H	α-helix	trans	-58.3	-47	176.3	179	-104.1	0	0	0	112.6	S860 L861 C864 S925 T926 S931 K932 F935	S860-F929 WeakPolarHBondContact OG-CD2 3.48Å; S860-F929 WeakPolarHBondContact OG-CE2 3.5Å; L861-F929 HydrophobicContact CB-CE1 4.34Å; L861-F929 HydrophobicContact CB-CE2 4.47Å; L861-F929 HydrophobicContact CB-CZ 3.73Å; L861-F929 HydrophobicContact CD1-CE1 3.64Å; L861-F929 HydrophobicContact CD1-CZ 3.68Å; L861-F929 HydrophobicContact CG-CZ 4.29Å; C864-F929 HydrophobicContact CB-CD1 3.58Å; C864-F929 HydrophobicContact CB-CE1 3.82Å; C864-F929 HydrophobicContact CB-CG 4.41Å; S925-F929 WeakPolarHBondContact O-CB 3.39Å; S925-F929 PolarHBondContact O-N 3.38Å; T926-F929 PolarHBondContact O-N 3.34Å; F929-S931 PolarHBondContact O-N 3.13Å; F929-K932 PolarHBondContact O-N 3.47Å; F929-F935 HydrophobicContact CE2-CE2 4.32Å; F929-F935 HydrophobicContact CZ-CE2 4.3Å
930	L	72.7	Confident	63.6	Low	0 Å²	0	68.5 Å²	68.5	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-64.2	-26.8	177.3	-69	170.7	0	0	0	112.4	L892 R893 A896 L922 T926 R927 E928	L892-L930 HydrophobicContact CB-CD1 4.13Å; L892-L930 HydrophobicContact CB-CD2 4.02Å; R893-L930 WeakPolarHBondContact CA-O 3.36Å; R893-L930 HydrophobicContact CG-CB 4.46Å; R893-L930 HydrophobicContact CG-CD2 3.66Å; A896-L930 HydrophobicContact CB-CB 3.64Å; A896-L930 WeakPolarHBondContact CB-O 3.23Å; L922-L930 HydrophobicContact CD1-CD1 3.67Å; T926-L930 HydrophobicContact CG2-CD1 3.96Å; T926-L930 HydrophobicContact CG2-CG 4.35Å; T926-L930 WeakPolarHBondContact O-CB 3.32Å; T926-L930 VanDerWaalsContact O-CG 3.25Å; T926-L930 WeakPolarHBondContact O-CG 3.47Å; T926-L930 PolarHBondContact O-N 3.36Å; R927-L930 PolarHBondContact O-N 3.03Å; E928-L930 PolarHBondContact O-N 2.95Å
931	S	71.3	Confident	63.5	Low	25 Å²	25	71.9 Å²	71.9	18%	0.175	39%	0.394	C	S	.	.	H	α-helix	trans	-80.3	-12.5	-179.7	78.2	0	0	0	0	114.7	R927 E928 F929	R927-S931 WeakPolarHBondContact O-CB 3.41Å; R927-S931 PolarHBondContact O-N 3.11Å; E928-S931 PolarHBondContact O-N 3.31Å; E928-S931 VanDerWaalsContact O-N 3.1Å; E928-S931 PolarHBondContact O-OG 3.29Å; F929-S931 PolarHBondContact O-N 3.13Å
932	K	66.8	Low	63.3	Low	88 Å²	88	70.1 Å²	70.1	38%	0.383	39%	0.391	S	S	.	.			trans	-72.2	129.1	178.9	-69.5	178.5	-177	-179.7	0	110	E928 F929 S934	E928-K932 PolarHBondContact O-N 3.2Å; F929-K932 PolarHBondContact O-N 3.47Å; K932-S934 VanDerWaalsContact C-N 3.27Å; K932-S934 PolarHBondContact O-N 3.44Å
933	S	55.8	Low	62.8	Low	118 Å²	118	74.9 Å²	74.9	83%	0.825	42%	0.418	S	S	*	.			trans	-73.9	-13.4	-176.3	57	0	0	0	0	114.5
934	S	46.6	Very low	62.2	Low	67 Å²	67	78.2 Å²	78.2	47%	0.469	43%	0.433	S	S	.	.			trans	-101.6	97.9	-166.6	56.4	0	0	0	0	112.8	K932	K932-S934 VanDerWaalsContact C-N 3.27Å; K932-S934 PolarHBondContact O-N 3.44Å
935	F	32.6	Very low	61.5	Low	117 Å²	117	75.5 Å²	75.5	51%	0.513	41%	0.409	S	S	.	.			trans	-152.6	72.2	147.6	-101.7	-81	0	0	0	106.5	F929	F929-F935 HydrophobicContact CE2-CE2 4.32Å; F929-F935 HydrophobicContact CZ-CE2 4.3Å
936	L	30.6	Very low	60.8	Low	237 Å²	237	75.9 Å²	75.9	100%	1.241	40%	0.401	S	S	*	.			trans	-125.7	0	153.4	-89.5	163.7	0	0	0	104.5

Retrieved 936 of 936 residues in 247 ms (Link to these results)

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